4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-thiazole-2-carboxamide

C10H10F3N5OS — CID 167964913

IUPAC4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NC(C)c2nc(C(F)(F)F)n[nH]2)n1
InChIInChI=1S/C10H10F3N5OS/c1-4-3-20-8(14-4)7(19)15-5(2)6-16-9(18-17-6)10(11,12)13/h3,5H,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyWUCVQUYTOOOHBA-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.08
Rot. Bonds3

About 4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-thiazole-2-carboxamide

4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-thiazole-2-carboxamide (PubChem CID 167964913) has the molecular formula C10H10F3N5OS and a molecular weight of 305.29 g/mol. Its IUPAC name is 4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-thiazole-2-carboxamide
PubChem CID167964913
Molecular FormulaC10H10F3N5OS
Molecular Weight305.29 g/mol
Exact Mass305.06
IUPAC Name4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NC(C)c2nc(C(F)(F)F)n[nH]2)n1
InChIInChI=1S/C10H10F3N5OS/c1-4-3-20-8(14-4)7(19)15-5(2)6-16-9(18-17-6)10(11,12)13/h3,5H,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyWUCVQUYTOOOHBA-UHFFFAOYSA-N
XLogP2.08
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-thiazole-2-carboxamide (CID 167964913) is 4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-thiazole-2-carboxamide is Cc1csc(C(=O)NC(C)c2nc(C(F)(F)F)n[nH]2)n1.
What is the InChIKey of 4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-thiazole-2-carboxamide?
The InChIKey is WUCVQUYTOOOHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5OS/c1-4-3-20-8(14-4)7(19)15-5(2)6-16-9(18-17-6)10(11,12)13/h3,5H,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of 4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-thiazole-2-carboxamide?
4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-thiazole-2-carboxamide has a molecular weight of 305.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 167964913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).