N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide

C16H14N2O2S — CID 733820

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1C
InChIInChI=1S/C16H14N2O2S/c1-10-5-6-12(8-11(10)2)13-9-21-16(17-13)18-15(19)14-4-3-7-20-14/h3-9H,1-2H3,(H,17,18,19)
InChIKeyGJNQAOQSUJCTCP-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.27
Rot. Bonds3

About N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 733820) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID733820
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1C
InChIInChI=1S/C16H14N2O2S/c1-10-5-6-12(8-11(10)2)13-9-21-16(17-13)18-15(19)14-4-3-7-20-14/h3-9H,1-2H3,(H,17,18,19)
InChIKeyGJNQAOQSUJCTCP-UHFFFAOYSA-N
XLogP4.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 733820) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is Cc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is GJNQAOQSUJCTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10-5-6-12(8-11(10)2)13-9-21-16(17-13)18-15(19)14-4-3-7-20-14/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 733820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).