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

C16H14N2O2S — CID 6464408

IUPACN-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
SMILESCc1cccc(-c2nc(CNC(=O)c3ccco3)cs2)c1
InChIInChI=1S/C16H14N2O2S/c1-11-4-2-5-12(8-11)16-18-13(10-21-16)9-17-15(19)14-6-3-7-20-14/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyDYMHJESDFLGZMO-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.64
Rot. Bonds4

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

N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide (PubChem CID 6464408) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
PubChem CID6464408
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
SMILESCc1cccc(-c2nc(CNC(=O)c3ccco3)cs2)c1
InChIInChI=1S/C16H14N2O2S/c1-11-4-2-5-12(8-11)16-18-13(10-21-16)9-17-15(19)14-6-3-7-20-14/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyDYMHJESDFLGZMO-UHFFFAOYSA-N
XLogP3.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide (CID 6464408) is N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide is Cc1cccc(-c2nc(CNC(=O)c3ccco3)cs2)c1.
What is the InChIKey of N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide?
The InChIKey is DYMHJESDFLGZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-4-2-5-12(8-11)16-18-13(10-21-16)9-17-15(19)14-6-3-7-20-14/h2-8,10H,9H2,1H3,(H,17,19).
What are the key properties of N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide?
N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 6464408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).