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

C17H16N2O2S — CID 7287430

IUPACN-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
SMILESCc1ccc(-c2nc(CCNC(=O)c3ccco3)cs2)cc1
InChIInChI=1S/C17H16N2O2S/c1-12-4-6-13(7-5-12)17-19-14(11-22-17)8-9-18-16(20)15-3-2-10-21-15/h2-7,10-11H,8-9H2,1H3,(H,18,20)
InChIKeyLIAFLKQFVXORIX-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.68
Rot. Bonds5

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

N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide (PubChem CID 7287430) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
PubChem CID7287430
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
SMILESCc1ccc(-c2nc(CCNC(=O)c3ccco3)cs2)cc1
InChIInChI=1S/C17H16N2O2S/c1-12-4-6-13(7-5-12)17-19-14(11-22-17)8-9-18-16(20)15-3-2-10-21-15/h2-7,10-11H,8-9H2,1H3,(H,18,20)
InChIKeyLIAFLKQFVXORIX-UHFFFAOYSA-N
XLogP3.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 674790
Furan-2-carboxylic acid 4-benzothiazol-2-yl-benzylamide
CID 2979650
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 733820
Furan-2-carboxylic acid methyl-(4-phenyl-thiazol-2-yl)-amide
CID 861583
Furan-2-carboxylic acid [4-(4-methoxy-phenyl)-thiazol-2-yl]-methyl-amide
CID 862765
5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-furamide
CID 983644
N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 2811044
N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 6464408
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 6468644
N-(2-(2-phenylthiazol-4-yl)ethyl)furan-2-carboxamide
CID 7119107
N-{2-[2-(3-Fluorophenyl)-1,3-thiazol-4-YL]ethyl}furan-2-carboxamide
CID 7518526

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide (CID 7287430) is N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide is Cc1ccc(-c2nc(CCNC(=O)c3ccco3)cs2)cc1.
What is the InChIKey of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide?
The InChIKey is LIAFLKQFVXORIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-4-6-13(7-5-12)17-19-14(11-22-17)8-9-18-16(20)15-3-2-10-21-15/h2-7,10-11H,8-9H2,1H3,(H,18,20).
What are the key properties of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide?
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 7287430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).