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

C17H16N2O2S — CID 123759102

IUPAC3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H16N2O2S/c1-12-8-10-21-15(12)16(20)18-9-7-14-11-22-17(19-14)13-5-3-2-4-6-13/h2-6,8,10-11H,7,9H2,1H3,(H,18,20)
InChIKeyZIXMLEHVDNDNCK-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.68
Rot. Bonds5

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

3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide (PubChem CID 123759102) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
PubChem CID123759102
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H16N2O2S/c1-12-8-10-21-15(12)16(20)18-9-7-14-11-22-17(19-14)13-5-3-2-4-6-13/h2-6,8,10-11H,7,9H2,1H3,(H,18,20)
InChIKeyZIXMLEHVDNDNCK-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
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-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 7119107
N-{2-[2-(3-Fluorophenyl)-1,3-thiazol-4-YL]ethyl}furan-2-carboxamide
CID 7518526
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 8893265

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide (CID 123759102) is 3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide is Cc1ccoc1C(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide?
The InChIKey is ZIXMLEHVDNDNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-8-10-21-15(12)16(20)18-9-7-14-11-22-17(19-14)13-5-3-2-4-6-13/h2-6,8,10-11H,7,9H2,1H3,(H,18,20).
What are the key properties of 3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide?
3-methyl-N-[2-(2-phenyl-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 3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 123759102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).