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

C17H16N2O2S — CID 2147600

IUPAC5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1cccc(Cc2cnc(NC(=O)c3ccc(C)o3)s2)c1
InChIInChI=1S/C17H16N2O2S/c1-11-4-3-5-13(8-11)9-14-10-18-17(22-14)19-16(20)15-7-6-12(2)21-15/h3-8,10H,9H2,1-2H3,(H,18,19,20)
InChIKeyNKESGPFHUCOJIG-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.20
Rot. Bonds4

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

5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 2147600) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID2147600
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1cccc(Cc2cnc(NC(=O)c3ccc(C)o3)s2)c1
InChIInChI=1S/C17H16N2O2S/c1-11-4-3-5-13(8-11)9-14-10-18-17(22-14)19-16(20)15-7-6-12(2)21-15/h3-8,10H,9H2,1-2H3,(H,18,19,20)
InChIKeyNKESGPFHUCOJIG-UHFFFAOYSA-N
XLogP4.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9508654
Furan-2-carboxylic acid (4-phenyl-5-pyridin-4-yl-thiazol-2-yl)-amide
CID 72197880
5-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 1084411
5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 1249045
5-{[(4-methylphenyl)sulfanyl]methyl}-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 2990742
N-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 4782855
N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 746004
5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 2192756
N-[5-(4-methylbenzyl)-1,3-thiazol-2-yl]-2-furamide
CID 724162
5-(3-nitrophenyl)-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}-2-furamide
CID 1298953
N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2673057
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 646081

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 2147600) is 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide is Cc1cccc(Cc2cnc(NC(=O)c3ccc(C)o3)s2)c1.
What is the InChIKey of 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is NKESGPFHUCOJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-4-3-5-13(8-11)9-14-10-18-17(22-14)19-16(20)15-7-6-12(2)21-15/h3-8,10H,9H2,1-2H3,(H,18,19,20).
What are the key properties of 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2147600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).