N-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C12H9F3N2O2S2 — CID 67326437

IUPACN-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCN(Cc1nccs1)C(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C12H9F3N2O2S2/c1-17(6-9-16-4-5-20-9)11(19)8-3-2-7(21-8)10(18)12(13,14)15/h2-5H,6H2,1H3
InChIKeyHKEFSLVSCSQQSI-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.22
Rot. Bonds4

About N-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 67326437) has the molecular formula C12H9F3N2O2S2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID67326437
Molecular FormulaC12H9F3N2O2S2
Molecular Weight334.34 g/mol
Exact Mass334.01
IUPAC NameN-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCN(Cc1nccs1)C(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C12H9F3N2O2S2/c1-17(6-9-16-4-5-20-9)11(19)8-3-2-7(21-8)10(18)12(13,14)15/h2-5H,6H2,1H3
InChIKeyHKEFSLVSCSQQSI-UHFFFAOYSA-N
XLogP3.22
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 67326437) is N-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is CN(Cc1nccs1)C(=O)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is HKEFSLVSCSQQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S2/c1-17(6-9-16-4-5-20-9)11(19)8-3-2-7(21-8)10(18)12(13,14)15/h2-5H,6H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 67326437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).