5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-carboxamide

C11H10ClF3N4O2S — CID 71793282

IUPAC5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-carboxamide
SMILESCn1c(C(F)(F)F)nn(CCNC(=O)c2ccc(Cl)s2)c1=O
InChIInChI=1S/C11H10ClF3N4O2S/c1-18-9(11(13,14)15)17-19(10(18)21)5-4-16-8(20)6-2-3-7(12)22-6/h2-3H,4-5H2,1H3,(H,16,20)
InChIKeyHFNNCQPQXZMBJC-UHFFFAOYSA-N
MW354.74 g/mol
LogP1.75
Rot. Bonds4

About 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-carboxamide

5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 71793282) has the molecular formula C11H10ClF3N4O2S and a molecular weight of 354.74 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID71793282
Molecular FormulaC11H10ClF3N4O2S
Molecular Weight354.74 g/mol
Exact Mass354.02
IUPAC Name5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-carboxamide
SMILESCn1c(C(F)(F)F)nn(CCNC(=O)c2ccc(Cl)s2)c1=O
InChIInChI=1S/C11H10ClF3N4O2S/c1-18-9(11(13,14)15)17-19(10(18)21)5-4-16-8(20)6-2-3-7(12)22-6/h2-3H,4-5H2,1H3,(H,16,20)
InChIKeyHFNNCQPQXZMBJC-UHFFFAOYSA-N
XLogP1.75
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.74
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-carboxamide (CID 71793282) is 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-carboxamide is Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccc(Cl)s2)c1=O.
What is the InChIKey of 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is HFNNCQPQXZMBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O2S/c1-18-9(11(13,14)15)17-19(10(18)21)5-4-16-8(20)6-2-3-7(12)22-6/h2-3H,4-5H2,1H3,(H,16,20).
What are the key properties of 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 354.74 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 71793282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).