2-[imidazol-1-yl-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole

C16H17N7S — CID 91309132

IUPAC2-[imidazol-1-yl-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole
SMILESCCCc1c(C(c2nccs2)n2ccnc2)ncn2nc(C)nc12
InChIInChI=1S/C16H17N7S/c1-3-4-12-13(19-10-23-15(12)20-11(2)21-23)14(16-18-6-8-24-16)22-7-5-17-9-22/h5-10,14H,3-4H2,1-2H3
InChIKeyZIKKFKVTAKPUTG-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.68
Rot. Bonds5

About 2-[imidazol-1-yl-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole

2-[imidazol-1-yl-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole (PubChem CID 91309132) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is 2-[imidazol-1-yl-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[imidazol-1-yl-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole
PubChem CID91309132
Molecular FormulaC16H17N7S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name2-[imidazol-1-yl-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole
SMILESCCCc1c(C(c2nccs2)n2ccnc2)ncn2nc(C)nc12
InChIInChI=1S/C16H17N7S/c1-3-4-12-13(19-10-23-15(12)20-11(2)21-23)14(16-18-6-8-24-16)22-7-5-17-9-22/h5-10,14H,3-4H2,1-2H3
InChIKeyZIKKFKVTAKPUTG-UHFFFAOYSA-N
XLogP2.68
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657814
2-[7-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole
CID 129051755
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-4-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258734
N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine
CID 44589329
4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
CID 89657802
2-[1-(2-Piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole
CID 74767291
2-[7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole
CID 11293063
2-[1-[(2-Methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole
CID 11416499
8-Propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11771684
US9096589, 8-Methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250345
US9096589, 5-Methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250346
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 53250649

Frequently Asked Questions

What is the IUPAC name of 2-[imidazol-1-yl-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[imidazol-1-yl-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole (CID 91309132) is 2-[imidazol-1-yl-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[imidazol-1-yl-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[imidazol-1-yl-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole is CCCc1c(C(c2nccs2)n2ccnc2)ncn2nc(C)nc12.
What is the InChIKey of 2-[imidazol-1-yl-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole?
The InChIKey is ZIKKFKVTAKPUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7S/c1-3-4-12-13(19-10-23-15(12)20-11(2)21-23)14(16-18-6-8-24-16)22-7-5-17-9-22/h5-10,14H,3-4H2,1-2H3.
What are the key properties of 2-[imidazol-1-yl-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole?
2-[imidazol-1-yl-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole has a molecular weight of 339.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[imidazol-1-yl-(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 91309132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).