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

C20H19N3O2S — CID 1468263

IUPACN-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(C)c(C(=O)NCc3ccccc3)s2)cc1
InChIInChI=1S/C20H19N3O2S/c1-13-8-10-16(11-9-13)18(24)23-20-22-14(2)17(26-20)19(25)21-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyABILDASRLDDBRU-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.94
Rot. Bonds5

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

N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 1468263) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID1468263
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(C)c(C(=O)NCc3ccccc3)s2)cc1
InChIInChI=1S/C20H19N3O2S/c1-13-8-10-16(11-9-13)18(24)23-20-22-14(2)17(26-20)19(25)21-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyABILDASRLDDBRU-UHFFFAOYSA-N
XLogP3.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 59369678
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
N-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 143575811
N-benzyl-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide
CID 1468268
2-(2-ethylanilino)-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365440
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897032
N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide
CID 145489196
4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 144822340
4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 53365432
N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468182
N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 87544011

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide (CID 1468263) is N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide is Cc1ccc(C(=O)Nc2nc(C)c(C(=O)NCc3ccccc3)s2)cc1.
What is the InChIKey of N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is ABILDASRLDDBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-13-8-10-16(11-9-13)18(24)23-20-22-14(2)17(26-20)19(25)21-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1468263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).