3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole

C81H138N12S9 — CID 161334524

IUPAC3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole
SMILESCC(C)c1cc(C(C)(C)C)ns1.CC(C)c1cc(C(C)C)sn1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1csc(C(C)C)n1.CC(C)c1nc(C(C)(C)C)cs1.CC(C)c1nc(C(C)(C)C)ns1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nsc(C(C)C)n1
InChIInChI=1S/2C10H17NS.C9H16N2S.4C9H15NS.2C8H14N2S/c1-7(2)9-11-8(6-12-9)10(3,4)5;1-7(2)8-6-9(11-12-8)10(3,4)5;1-6(2)7-10-8(11-12-7)9(3,4)5;1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h2*6-7H,1-5H3;6H,1-5H3;4*5-7H,1-4H3;2*5-6H,1-4H3
InChIKeyVLVUFWOPANZJIP-UHFFFAOYSA-N
MW1568.68 g/mol
LogP29.22
Rot. Bonds15

About 3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole

3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole (PubChem CID 161334524) has the molecular formula C81H138N12S9 and a molecular weight of 1568.68 g/mol. Its IUPAC name is 3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole
PubChem CID161334524
Molecular FormulaC81H138N12S9
Molecular Weight1568.68 g/mol
Exact Mass1566.87
IUPAC Name3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole
SMILESCC(C)c1cc(C(C)(C)C)ns1.CC(C)c1cc(C(C)C)sn1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1csc(C(C)C)n1.CC(C)c1nc(C(C)(C)C)cs1.CC(C)c1nc(C(C)(C)C)ns1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nsc(C(C)C)n1
InChIInChI=1S/2C10H17NS.C9H16N2S.4C9H15NS.2C8H14N2S/c1-7(2)9-11-8(6-12-9)10(3,4)5;1-7(2)8-6-9(11-12-8)10(3,4)5;1-6(2)7-10-8(11-12-7)9(3,4)5;1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h2*6-7H,1-5H3;6H,1-5H3;4*5-7H,1-4H3;2*5-6H,1-4H3
InChIKeyVLVUFWOPANZJIP-UHFFFAOYSA-N
XLogP29.22
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001568.68
LogP ≤ 529.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole?
The IUPAC name of 3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole (CID 161334524) is 3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole.
What is the SMILES notation for 3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole?
The canonical SMILES for 3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole is CC(C)c1cc(C(C)(C)C)ns1.CC(C)c1cc(C(C)C)sn1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1csc(C(C)C)n1.CC(C)c1nc(C(C)(C)C)cs1.CC(C)c1nc(C(C)(C)C)ns1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nsc(C(C)C)n1.
What is the InChIKey of 3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole?
The InChIKey is VLVUFWOPANZJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17NS.C9H16N2S.4C9H15NS.2C8H14N2S/c1-7(2)9-11-8(6-12-9)10(3,4)5;1-7(2)8-6-9(11-12-8)10(3,4)5;1-6(2)7-10-8(11-12-7)9(3,4)5;1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h2*6-7H,1-5H3;6H,1-5H3;4*5-7H,1-4H3;2*5-6H,1-4H3.
What are the key properties of 3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole?
3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole has a molecular weight of 1568.68 g/mol, XLogP of 29.22, 15 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);3,5-di(propan-2-yl)-1,2-thiazole is sourced from PubChem (CID 161334524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).