6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C99H139F3N30S4 — CID 160547492

IUPAC6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1ccn2cc(C(F)(F)F)nc2n1.CC(C)(C)c1ccnc(N)n1.CC(C)(C)c1ccnc2ccnn12.CC(C)(C)c1ccnc2ncnn12.CC(C)(C)c1cn2c(n1)SCC2.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cn2ccsc2n1.CC(C)(C)c1cn2ncsc2n1.CC(C)(C)c1cn2nnsc2n1.Cc1[nH]ncc1C(C)(C)C.Cc1nccc(C(C)(C)C)n1
InChIInChI=1S/C11H12F3N3.C11H14N2.C10H13N3.C9H12N4.C9H14N2S.C9H12N2S.C9H14N2.C8H11N3S.C8H13N3.C8H14N2.C7H10N4S/c1-10(2,3)7-4-5-17-6-8(11(12,13)14)16-9(17)15-7;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-10(2,3)8-4-6-11-9-5-7-12-13(8)9;1-9(2,3)7-4-5-10-8-11-6-12-13(7)8;2*1-9(2,3)7-6-11-4-5-12-8(11)10-7;1-7-10-6-5-8(11-7)9(2,3)4;1-8(2,3)6-4-11-7(10-6)12-5-9-11;1-8(2,3)6-4-5-10-7(9)11-6;1-6-7(5-9-10-6)8(2,3)4;1-7(2,3)5-4-11-6(8-5)12-10-9-11/h4-6H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;6H,4-5H2,1-3H3;4-6H,1-3H3;5-6H,1-4H3;4-5H,1-3H3;4-5H,1-3H3,(H2,9,10,11);5H,1-4H3,(H,9,10);4H,1-3H3
InChIKeyQXPVSZHWMIZKLX-UHFFFAOYSA-N
MW1934.67 g/mol
LogP23.13
Rot. Bonds

About 6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine

6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 160547492) has the molecular formula C99H139F3N30S4 and a molecular weight of 1934.67 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID160547492
Molecular FormulaC99H139F3N30S4
Molecular Weight1934.67 g/mol
Exact Mass1933.06
IUPAC Name6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1ccn2cc(C(F)(F)F)nc2n1.CC(C)(C)c1ccnc(N)n1.CC(C)(C)c1ccnc2ccnn12.CC(C)(C)c1ccnc2ncnn12.CC(C)(C)c1cn2c(n1)SCC2.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cn2ccsc2n1.CC(C)(C)c1cn2ncsc2n1.CC(C)(C)c1cn2nnsc2n1.Cc1[nH]ncc1C(C)(C)C.Cc1nccc(C(C)(C)C)n1
InChIInChI=1S/C11H12F3N3.C11H14N2.C10H13N3.C9H12N4.C9H14N2S.C9H12N2S.C9H14N2.C8H11N3S.C8H13N3.C8H14N2.C7H10N4S/c1-10(2,3)7-4-5-17-6-8(11(12,13)14)16-9(17)15-7;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-10(2,3)8-4-6-11-9-5-7-12-13(8)9;1-9(2,3)7-4-5-10-8-11-6-12-13(7)8;2*1-9(2,3)7-6-11-4-5-12-8(11)10-7;1-7-10-6-5-8(11-7)9(2,3)4;1-8(2,3)6-4-11-7(10-6)12-5-9-11;1-8(2,3)6-4-5-10-7(9)11-6;1-6-7(5-9-10-6)8(2,3)4;1-7(2,3)5-4-11-6(8-5)12-10-9-11/h4-6H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;6H,4-5H2,1-3H3;4-6H,1-3H3;5-6H,1-4H3;4-5H,1-3H3;4-5H,1-3H3,(H2,9,10,11);5H,1-4H3,(H,9,10);4H,1-3H3
InChIKeyQXPVSZHWMIZKLX-UHFFFAOYSA-N
XLogP23.13
TPSA335.41 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds
Heavy Atoms136
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001934.67
LogP ≤ 523.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Analyze 6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 160547492) is 6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine is CC(C)(C)c1ccn2cc(C(F)(F)F)nc2n1.CC(C)(C)c1ccnc(N)n1.CC(C)(C)c1ccnc2ccnn12.CC(C)(C)c1ccnc2ncnn12.CC(C)(C)c1cn2c(n1)SCC2.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cn2ccsc2n1.CC(C)(C)c1cn2ncsc2n1.CC(C)(C)c1cn2nnsc2n1.Cc1[nH]ncc1C(C)(C)C.Cc1nccc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is QXPVSZHWMIZKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3.C11H14N2.C10H13N3.C9H12N4.C9H14N2S.C9H12N2S.C9H14N2.C8H11N3S.C8H13N3.C8H14N2.C7H10N4S/c1-10(2,3)7-4-5-17-6-8(11(12,13)14)16-9(17)15-7;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-10(2,3)8-4-6-11-9-5-7-12-13(8)9;1-9(2,3)7-4-5-10-8-11-6-12-13(7)8;2*1-9(2,3)7-6-11-4-5-12-8(11)10-7;1-7-10-6-5-8(11-7)9(2,3)4;1-8(2,3)6-4-11-7(10-6)12-5-9-11;1-8(2,3)6-4-5-10-7(9)11-6;1-6-7(5-9-10-6)8(2,3)4;1-7(2,3)5-4-11-6(8-5)12-10-9-11/h4-6H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;6H,4-5H2,1-3H3;4-6H,1-3H3;5-6H,1-4H3;4-5H,1-3H3;4-5H,1-3H3,(H2,9,10,11);5H,1-4H3,(H,9,10);4H,1-3H3.
What are the key properties of 6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 1934.67 g/mol, XLogP of 23.13, 0 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 160547492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).