2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

C18H17N3OS — CID 2440658

IUPAC2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NCc2ccccc2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H17N3OS/c1-13-16(17(22)21-15-10-6-3-7-11-15)23-18(20-13)19-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyKVJGRJZOBHIBFH-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.32
Rot. Bonds5

About 2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 2440658) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID2440658
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NCc2ccccc2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H17N3OS/c1-13-16(17(22)21-15-10-6-3-7-11-15)23-18(20-13)19-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyKVJGRJZOBHIBFH-UHFFFAOYSA-N
XLogP4.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenylamino-4-methyl-5-acetylthiazole
CID 735838
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Phenyl)methanone
CID 936046
5-Thiazolecarboxamide, 2-amino-4-methyl-N-(2,4,6-trimethylphenyl)-
CID 210813
N-mesityl-4-methyl-2-(3-phenylureido)thiazole-5-carboxamide
CID 16897096
methyl N-{4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl}carbamate
CID 21137651
4-methyl-2-[(methylcarbamoyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911406
2-[(benzylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911412
2-[(butylcarbamoyl)amino]-N-(2-chloro-6-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 21911491
2-(Benzoylamino)-4-methyl-n-(2,4,6-trimethylphenyl)-5-thiazolecarboxamide
CID 21911517
2-acetamido-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911563
2-[(butylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21985432
1-[4-Methyl-2-(Naphthalen-2-Ylamino)-1,3-Thiazol-5-Yl]ethanone
CID 118732495

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 2440658) is 2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(NCc2ccccc2)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is KVJGRJZOBHIBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-13-16(17(22)21-15-10-6-3-7-11-15)23-18(20-13)19-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 2440658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).