2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide

C16H13FN2OS2 — CID 18098005

IUPAC2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H13FN2OS2/c1-19(9-13-3-2-8-21-13)16(20)14-10-22-15(18-14)11-4-6-12(17)7-5-11/h2-8,10H,9H2,1H3
InChIKeyGAOQHKIHMKHBHH-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.28
Rot. Bonds4

About 2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 18098005) has the molecular formula C16H13FN2OS2 and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID18098005
Molecular FormulaC16H13FN2OS2
Molecular Weight332.43 g/mol
Exact Mass332.05
IUPAC Name2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H13FN2OS2/c1-19(9-13-3-2-8-21-13)16(20)14-10-22-15(18-14)11-4-6-12(17)7-5-11/h2-8,10H,9H2,1H3
InChIKeyGAOQHKIHMKHBHH-UHFFFAOYSA-N
XLogP4.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 18098005) is 2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide is CN(Cc1cccs1)C(=O)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GAOQHKIHMKHBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS2/c1-19(9-13-3-2-8-21-13)16(20)14-10-22-15(18-14)11-4-6-12(17)7-5-11/h2-8,10H,9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18098005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).