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

C14H14F3N7OS — CID 131943742

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NC(C)c3nncn3C)cs2)n1
InChIInChI=1S/C14H14F3N7OS/c1-7-4-10(14(15,16)17)24(22-7)13-20-9(5-26-13)12(25)19-8(2)11-21-18-6-23(11)3/h4-6,8H,1-3H3,(H,19,25)
InChIKeyDEUPNMLTSNPKOX-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.28
Rot. Bonds4

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

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 131943742) has the molecular formula C14H14F3N7OS and a molecular weight of 385.38 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID131943742
Molecular FormulaC14H14F3N7OS
Molecular Weight385.38 g/mol
Exact Mass385.09
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NC(C)c3nncn3C)cs2)n1
InChIInChI=1S/C14H14F3N7OS/c1-7-4-10(14(15,16)17)24(22-7)13-20-9(5-26-13)12(25)19-8(2)11-21-18-6-23(11)3/h4-6,8H,1-3H3,(H,19,25)
InChIKeyDEUPNMLTSNPKOX-UHFFFAOYSA-N
XLogP2.28
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (CID 131943742) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NC(C)c3nncn3C)cs2)n1.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is DEUPNMLTSNPKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N7OS/c1-7-4-10(14(15,16)17)24(22-7)13-20-9(5-26-13)12(25)19-8(2)11-21-18-6-23(11)3/h4-6,8H,1-3H3,(H,19,25).
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 385.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131943742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).