2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane

C223H430N28S2 — CID 160720556

IUPAC2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cc(C(C)C)nn2cn1.CC(C)c1ccc2nc(C(C)C)cn2c1.CC(C)c1ccc2nc(C(C)C)nn2c1.CC(C)c1ccc2nc(C(C)C)sc2c1.CC(C)c1ccc2nc(C(C)C)sc2n1.CC(C)c1ccn2nc(C(C)C)cc2c1.CC(C)c1ccn2nc(C(C)C)cc2n1.CC(C)c1ccn2nc(C(C)C)nc2c1.CC(C)c1cn2cc(C(C)C)nc2cn1.CC(C)c1cn2nc(C(C)C)ccc2n1.CC(C)c1cnc2nc(C(C)C)cn2c1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/2C13H18N2.C13H17NS.7C12H17N3.C12H16N2S.22C3H8.11C2H6/c1-9(2)11-5-6-13-14-12(10(3)4)8-15(13)7-11;1-9(2)11-5-6-15-12(7-11)8-13(14-15)10(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;1-8(2)10-6-15-7-11(9(3)4)14-12(15)5-13-10;1-8(2)11-5-10-6-12(9(3)4)14-15(10)7-13-11;1-8(2)10-5-13-12-14-11(9(3)4)7-15(12)6-10;1-8(2)10-5-6-15-12(13-10)7-11(14-15)9(3)4;1-8(2)10-5-6-12-13-11(9(3)4)7-15(12)14-10;1-8(2)10-5-6-15-11(7-10)13-12(14-15)9(3)4;1-8(2)10-5-6-11-13-12(9(3)4)14-15(11)7-10;1-7(2)9-5-6-10-12(13-9)15-11(14-10)8(3)4;22*1-3-2;11*1-2/h2*5-10H,1-4H3;8*5-9H,1-4H3;5-8H,1-4H3;22*3H2,1-2H3;11*1-2H3
InChIKeyRTAVLTAWHRHZMO-UHFFFAOYSA-N
MW3568.22 g/mol
LogP78.92
Rot. Bonds22

About 2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane

2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane (PubChem CID 160720556) has the molecular formula C223H430N28S2 and a molecular weight of 3568.22 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane
PubChem CID160720556
Molecular FormulaC223H430N28S2
Molecular Weight3568.22 g/mol
Exact Mass3565.39
IUPAC Name2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cc(C(C)C)nn2cn1.CC(C)c1ccc2nc(C(C)C)cn2c1.CC(C)c1ccc2nc(C(C)C)nn2c1.CC(C)c1ccc2nc(C(C)C)sc2c1.CC(C)c1ccc2nc(C(C)C)sc2n1.CC(C)c1ccn2nc(C(C)C)cc2c1.CC(C)c1ccn2nc(C(C)C)cc2n1.CC(C)c1ccn2nc(C(C)C)nc2c1.CC(C)c1cn2cc(C(C)C)nc2cn1.CC(C)c1cn2nc(C(C)C)ccc2n1.CC(C)c1cnc2nc(C(C)C)cn2c1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/2C13H18N2.C13H17NS.7C12H17N3.C12H16N2S.22C3H8.11C2H6/c1-9(2)11-5-6-13-14-12(10(3)4)8-15(13)7-11;1-9(2)11-5-6-15-12(7-11)8-13(14-15)10(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;1-8(2)10-6-15-7-11(9(3)4)14-12(15)5-13-10;1-8(2)11-5-10-6-12(9(3)4)14-15(10)7-13-11;1-8(2)10-5-13-12-14-11(9(3)4)7-15(12)6-10;1-8(2)10-5-6-15-12(13-10)7-11(14-15)9(3)4;1-8(2)10-5-6-12-13-11(9(3)4)7-15(12)14-10;1-8(2)10-5-6-15-11(7-10)13-12(14-15)9(3)4;1-8(2)10-5-6-11-13-12(9(3)4)14-15(11)7-10;1-7(2)9-5-6-10-12(13-9)15-11(14-10)8(3)4;22*1-3-2;11*1-2/h2*5-10H,1-4H3;8*5-9H,1-4H3;5-8H,1-4H3;22*3H2,1-2H3;11*1-2H3
InChIKeyRTAVLTAWHRHZMO-UHFFFAOYSA-N
XLogP78.92
TPSA284.60 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms253
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003568.22
LogP ≤ 578.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane?
The IUPAC name of 2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane (CID 160720556) is 2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane.
What is the SMILES notation for 2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane?
The canonical SMILES for 2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cc(C(C)C)nn2cn1.CC(C)c1ccc2nc(C(C)C)cn2c1.CC(C)c1ccc2nc(C(C)C)nn2c1.CC(C)c1ccc2nc(C(C)C)sc2c1.CC(C)c1ccc2nc(C(C)C)sc2n1.CC(C)c1ccn2nc(C(C)C)cc2c1.CC(C)c1ccn2nc(C(C)C)cc2n1.CC(C)c1ccn2nc(C(C)C)nc2c1.CC(C)c1cn2cc(C(C)C)nc2cn1.CC(C)c1cn2nc(C(C)C)ccc2n1.CC(C)c1cnc2nc(C(C)C)cn2c1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.
What is the InChIKey of 2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane?
The InChIKey is RTAVLTAWHRHZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18N2.C13H17NS.7C12H17N3.C12H16N2S.22C3H8.11C2H6/c1-9(2)11-5-6-13-14-12(10(3)4)8-15(13)7-11;1-9(2)11-5-6-15-12(7-11)8-13(14-15)10(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;1-8(2)10-6-15-7-11(9(3)4)14-12(15)5-13-10;1-8(2)11-5-10-6-12(9(3)4)14-15(10)7-13-11;1-8(2)10-5-13-12-14-11(9(3)4)7-15(12)6-10;1-8(2)10-5-6-15-12(13-10)7-11(14-15)9(3)4;1-8(2)10-5-6-12-13-11(9(3)4)7-15(12)14-10;1-8(2)10-5-6-15-11(7-10)13-12(14-15)9(3)4;1-8(2)10-5-6-11-13-12(9(3)4)14-15(11)7-10;1-7(2)9-5-6-10-12(13-9)15-11(14-10)8(3)4;22*1-3-2;11*1-2/h2*5-10H,1-4H3;8*5-9H,1-4H3;5-8H,1-4H3;22*3H2,1-2H3;11*1-2H3.
What are the key properties of 2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane?
2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane has a molecular weight of 3568.22 g/mol, XLogP of 78.92, 22 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyridine;2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine;2,5-di(propan-2-yl)pyrazolo[1,5-c]pyrimidine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine;2,6-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,7-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane;propane is sourced from PubChem (CID 160720556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).