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

C20H19N3O2S — CID 9233075

IUPAC2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(=O)NCc2ccccc2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H19N3O2S/c1-14-19(20(25)23-16-10-6-3-7-11-16)26-18(22-14)12-17(24)21-13-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,24)(H,23,25)
InChIKeyRJXNCPQJXMGJOV-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.56
Rot. Bonds6

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

2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 9233075) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID9233075
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(=O)NCc2ccccc2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H19N3O2S/c1-14-19(20(25)23-16-10-6-3-7-11-16)26-18(22-14)12-17(24)21-13-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,24)(H,23,25)
InChIKeyRJXNCPQJXMGJOV-UHFFFAOYSA-N
XLogP3.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide
CID 9232883
2-[2-[2-(benzylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82155047
2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154722
2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 53169008
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 14222582
2-benzyl-4-methyl-N-[4-(propanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55788388
4-methyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154413
2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 49321700
2-[2-(3-chloroanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53169176
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-(2-hydrazinyl-2-oxoethyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 122172016

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 9233075) is 2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(CC(=O)NCc2ccccc2)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is RJXNCPQJXMGJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-19(20(25)23-16-10-6-3-7-11-16)26-18(22-14)12-17(24)21-13-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,24)(H,23,25).
What are the key properties of 2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9233075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).