N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C16H14N2OS2 — CID 1113642

IUPACN-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1
InChIInChI=1S/C16H14N2OS2/c1-11-4-6-12(7-5-11)9-13-10-17-16(21-13)18-15(19)14-3-2-8-20-14/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKeyUEXJSXOCLTUFMK-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.36
Rot. Bonds4

About N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 1113642) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID1113642
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1
InChIInChI=1S/C16H14N2OS2/c1-11-4-6-12(7-5-11)9-13-10-17-16(21-13)18-15(19)14-3-2-8-20-14/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKeyUEXJSXOCLTUFMK-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 1113642) is N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is Cc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1.
What is the InChIKey of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is UEXJSXOCLTUFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-11-4-6-12(7-5-11)9-13-10-17-16(21-13)18-15(19)14-3-2-8-20-14/h2-8,10H,9H2,1H3,(H,17,18,19).
What are the key properties of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 314.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1113642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).