N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

C17H17F3N6OS — CID 32867692

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C17H17F3N6OS/c1-8-11(9(2)26-15(21-8)24-14(25-26)17(18,19)20)5-6-13(27)23-16-22-12(7-28-16)10-3-4-10/h7,10H,3-6H2,1-2H3,(H,22,23,27)
InChIKeyQEWCQNPOBRGCSG-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.67
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 32867692) has the molecular formula C17H17F3N6OS and a molecular weight of 410.43 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID32867692
Molecular FormulaC17H17F3N6OS
Molecular Weight410.43 g/mol
Exact Mass410.11
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C17H17F3N6OS/c1-8-11(9(2)26-15(21-8)24-14(25-26)17(18,19)20)5-6-13(27)23-16-22-12(7-28-16)10-3-4-10/h7,10H,3-6H2,1-2H3,(H,22,23,27)
InChIKeyQEWCQNPOBRGCSG-UHFFFAOYSA-N
XLogP3.67
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 15945543
N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 3238939
3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)-N-(4-methylthiazol-2-yl)propanamide
CID 135885906
N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 87396252
N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 87456651
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 16622382
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 16622523
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 16622539
Ethyl 2-[2-[[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 16622560
2-[2-[[2-[5,7-Dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 16622600
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 16622904
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 17475576

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 32867692) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is QEWCQNPOBRGCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6OS/c1-8-11(9(2)26-15(21-8)24-14(25-26)17(18,19)20)5-6-13(27)23-16-22-12(7-28-16)10-3-4-10/h7,10H,3-6H2,1-2H3,(H,22,23,27).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 410.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 32867692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).