2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide

C15H11FN2OS2 — CID 175825972

IUPAC2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(Cc2ccc(-c3ccc(F)cc3)s2)n1
InChIInChI=1S/C15H11FN2OS2/c16-10-3-1-9(2-4-10)13-6-5-11(21-13)7-14-18-12(8-20-14)15(17)19/h1-6,8H,7H2,(H2,17,19)
InChIKeyZSBSEIHXSBLMFP-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.70
Rot. Bonds4

About 2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide

2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 175825972) has the molecular formula C15H11FN2OS2 and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID175825972
Molecular FormulaC15H11FN2OS2
Molecular Weight318.40 g/mol
Exact Mass318.03
IUPAC Name2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(Cc2ccc(-c3ccc(F)cc3)s2)n1
InChIInChI=1S/C15H11FN2OS2/c16-10-3-1-9(2-4-10)13-6-5-11(21-13)7-14-18-12(8-20-14)15(17)19/h1-6,8H,7H2,(H2,17,19)
InChIKeyZSBSEIHXSBLMFP-UHFFFAOYSA-N
XLogP3.70
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-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 2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide (CID 175825972) is 2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(Cc2ccc(-c3ccc(F)cc3)s2)n1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZSBSEIHXSBLMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS2/c16-10-3-1-9(2-4-10)13-6-5-11(21-13)7-14-18-12(8-20-14)15(17)19/h1-6,8H,7H2,(H2,17,19).
What are the key properties of 2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide?
2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 175825972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).