N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide

C20H17N3O2S — CID 9361287

IUPACN-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H17N3O2S/c24-18(21-15-9-10-15)14-7-4-8-16(11-14)22-19(25)17-12-26-20(23-17)13-5-2-1-3-6-13/h1-8,11-12,15H,9-10H2,(H,21,24)(H,22,25)
InChIKeyIBWVXVFLTTUUSL-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.95
Rot. Bonds5

About N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 9361287) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID9361287
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H17N3O2S/c24-18(21-15-9-10-15)14-7-4-8-16(11-14)22-19(25)17-12-26-20(23-17)13-5-2-1-3-6-13/h1-8,11-12,15H,9-10H2,(H,21,24)(H,22,25)
InChIKeyIBWVXVFLTTUUSL-UHFFFAOYSA-N
XLogP3.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
4-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229160
3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 164608985
N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 55415574
2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 18146251
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
N-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide
CID 46581107
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 34424164
N-cyclopropyl-3-[(3-phenoxybenzoyl)amino]benzamide
CID 9438583

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 9361287) is N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide is O=C(NC1CC1)c1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is IBWVXVFLTTUUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c24-18(21-15-9-10-15)14-7-4-8-16(11-14)22-19(25)17-12-26-20(23-17)13-5-2-1-3-6-13/h1-8,11-12,15H,9-10H2,(H,21,24)(H,22,25).
What are the key properties of N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 9361287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).