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

C22H17N3O3S — CID 39868533

IUPACN-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3ccccc3)sc2NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H17N3O3S/c1-14-9-11-15(12-10-14)18-21(24-20(27)17-8-5-13-28-17)29-22(23-18)25-19(26)16-6-3-2-4-7-16/h2-13H,1H3,(H,24,27)(H,23,25,26)
InChIKeyOBNQPQJYDTWNKW-UHFFFAOYSA-N
MW403.46 g/mol
LogP5.22
Rot. Bonds5

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

N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide (PubChem CID 39868533) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
PubChem CID39868533
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC NameN-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3ccccc3)sc2NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H17N3O3S/c1-14-9-11-15(12-10-14)18-21(24-20(27)17-8-5-13-28-17)29-22(23-18)25-19(26)16-6-3-2-4-7-16/h2-13H,1H3,(H,24,27)(H,23,25,26)
InChIKeyOBNQPQJYDTWNKW-UHFFFAOYSA-N
XLogP5.22
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 154810998
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868500
N-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 44615171
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868476
N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868480
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 954460
N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide
CID 25282897
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 46300012
N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 774248
4-methyl-N-[2-[[5-[(4-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 45155798
N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1208686

Frequently Asked Questions

What is the IUPAC name of N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide (CID 39868533) is N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide is Cc1ccc(-c2nc(NC(=O)c3ccccc3)sc2NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide?
The InChIKey is OBNQPQJYDTWNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c1-14-9-11-15(12-10-14)18-21(24-20(27)17-8-5-13-28-17)29-22(23-18)25-19(26)16-6-3-2-4-7-16/h2-13H,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide?
N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 39868533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).