N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-methyl-1,3-thiazole-5-carboxamide

C23H24N4O2S — CID 68802472

IUPACN-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C2CC2)cc1N(C(N)=O)c1nc(C)c(C(=O)NCc2ccccc2)s1
InChIInChI=1S/C23H24N4O2S/c1-14-8-9-18(17-10-11-17)12-19(14)27(22(24)29)23-26-15(2)20(30-23)21(28)25-13-16-6-4-3-5-7-16/h3-9,12,17H,10-11,13H2,1-2H3,(H2,24,29)(H,25,28)
InChIKeyVLFLDFQFKLSHMB-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.78
Rot. Bonds6

About N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-methyl-1,3-thiazole-5-carboxamide

N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 68802472) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID68802472
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C2CC2)cc1N(C(N)=O)c1nc(C)c(C(=O)NCc2ccccc2)s1
InChIInChI=1S/C23H24N4O2S/c1-14-8-9-18(17-10-11-17)12-19(14)27(22(24)29)23-26-15(2)20(30-23)21(28)25-13-16-6-4-3-5-7-16/h3-9,12,17H,10-11,13H2,1-2H3,(H2,24,29)(H,25,28)
InChIKeyVLFLDFQFKLSHMB-UHFFFAOYSA-N
XLogP4.78
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-(4-carbamoylphenyl)-1,3-thiazole-5-carboxamide
CID 68799909
N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 68800965
N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-(3-cyanophenyl)-1,3-thiazole-5-carboxamide
CID 68607743
N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 68801826
tert-butyl N-[2-[4-[5-(benzylcarbamoyl)-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazol-4-yl]anilino]-2-oxoethyl]carbamate
CID 68804619
N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-(4-cyanophenyl)-4,5-dihydro-1,3-thiazole-5-carboxamide
CID 68593649
2-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110694330
4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 53365432
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 95394528
N-benzyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386459
2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 51049231
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30141807

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-methyl-1,3-thiazole-5-carboxamide (CID 68802472) is N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ccc(C2CC2)cc1N(C(N)=O)c1nc(C)c(C(=O)NCc2ccccc2)s1.
What is the InChIKey of N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VLFLDFQFKLSHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-14-8-9-18(17-10-11-17)12-19(14)27(22(24)29)23-26-15(2)20(30-23)21(28)25-13-16-6-4-3-5-7-16/h3-9,12,17H,10-11,13H2,1-2H3,(H2,24,29)(H,25,28).
What are the key properties of N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 68802472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).