N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide

C22H16N2O3S — CID 162673862

IUPACN-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1ccc(C(=O)c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H16N2O3S/c1-14-9-11-16(12-10-14)19(25)20-18(15-6-3-2-4-7-15)23-22(28-20)24-21(26)17-8-5-13-27-17/h2-13H,1H3,(H,23,24,26)
InChIKeyNSGJWVVFFNBRGB-UHFFFAOYSA-N
MW388.45 g/mol
LogP5.19
Rot. Bonds5

About N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide

N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 162673862) has the molecular formula C22H16N2O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID162673862
Molecular FormulaC22H16N2O3S
Molecular Weight388.45 g/mol
Exact Mass388.09
IUPAC NameN-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1ccc(C(=O)c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H16N2O3S/c1-14-9-11-16(12-10-14)19(25)20-18(15-6-3-2-4-7-15)23-22(28-20)24-21(26)17-8-5-13-27-17/h2-13H,1H3,(H,23,24,26)
InChIKeyNSGJWVVFFNBRGB-UHFFFAOYSA-N
XLogP5.19
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-furoylamino)-N-mesityl-4-methyl-1,3-thiazole-5-carboxamide
CID 21911271
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 694812
Benzofuran-2-carboxylic acid (4,5-dimethyl-thiazol-2-yl)-amide
CID 734562
N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 674790
Furan-2-carboxylic acid (4-phenyl-5-pyridin-4-yl-thiazol-2-yl)-amide
CID 72197880
A1AR antagonist 3
CID 129834603
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 702340
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
N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 4197372
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 8893265
Methyl 4-methyl-2-{[(3-methyl-1-benzofuran-2-yl)carbonyl]amino}-1,3-thiazole-5-carboxylate
CID 659858

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide (CID 162673862) is N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide is Cc1ccc(C(=O)c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is NSGJWVVFFNBRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3S/c1-14-9-11-16(12-10-14)19(25)20-18(15-6-3-2-4-7-15)23-22(28-20)24-21(26)17-8-5-13-27-17/h2-13H,1H3,(H,23,24,26).
What are the key properties of N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 162673862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).