3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide

C20H19N3O2S — CID 164624853

IUPAC3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1cccc(Nc2nc(-c3ccccc3)c(C)s2)c1
InChIInChI=1S/C20H19N3O2S/c1-13(24)12-21-19(25)16-9-6-10-17(11-16)22-20-23-18(14(2)26-20)15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyPQGBFGDPEVZCCC-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.18
Rot. Bonds6

About 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide

3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide (PubChem CID 164624853) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide.

Molecular Properties

Compound Name3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide
PubChem CID164624853
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1cccc(Nc2nc(-c3ccccc3)c(C)s2)c1
InChIInChI=1S/C20H19N3O2S/c1-13(24)12-21-19(25)16-9-6-10-17(11-16)22-20-23-18(14(2)26-20)15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyPQGBFGDPEVZCCC-UHFFFAOYSA-N
XLogP4.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide
CID 164623017
(2S)-2-[[3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]benzoyl]amino]-3-phenylpropanoic acid
CID 164618237
N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 53387374
4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059125
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1333647
N-(2-acetamidoethyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808500
2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19173139
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956720
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide?
The IUPAC name of 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide (CID 164624853) is 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide.
What is the SMILES notation for 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide?
The canonical SMILES for 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide is CC(=O)CNC(=O)c1cccc(Nc2nc(-c3ccccc3)c(C)s2)c1.
What is the InChIKey of 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide?
The InChIKey is PQGBFGDPEVZCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-13(24)12-21-19(25)16-9-6-10-17(11-16)22-20-23-18(14(2)26-20)15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide?
3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide has a molecular weight of 365.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide is sourced from PubChem (CID 164624853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).