N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide

C19H16ClN3O2S — CID 59369678

IUPACN-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc(Cl)cc2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C19H16ClN3O2S/c1-12-16(18(25)21-11-13-5-3-2-4-6-13)26-19(22-12)23-17(24)14-7-9-15(20)10-8-14/h2-10H,11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyKIYWQSVKWCLYKS-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.29
Rot. Bonds5

About N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide

N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 59369678) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID59369678
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC NameN-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc(Cl)cc2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C19H16ClN3O2S/c1-12-16(18(25)21-11-13-5-3-2-4-6-13)26-19(22-12)23-17(24)14-7-9-15(20)10-8-14/h2-10H,11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyKIYWQSVKWCLYKS-UHFFFAOYSA-N
XLogP4.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468263
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897032
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
2-[(4-chlorobenzoyl)amino]-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468203
N-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 143575811
N-[(4-chlorophenyl)methyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897163
N-benzyl-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide
CID 1468268
2-[(4-chlorophenyl)carbamoylamino]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897590
N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365283
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084095
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide (CID 59369678) is N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is KIYWQSVKWCLYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-12-16(18(25)21-11-13-5-3-2-4-6-13)26-19(22-12)23-17(24)14-7-9-15(20)10-8-14/h2-10H,11H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 385.88 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59369678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).