N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide

C21H22N2OS — CID 990836

IUPACN-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)N(c1nc(-c2ccccc2)c(C)s1)c1ccccc1C
InChIInChI=1S/C21H22N2OS/c1-4-10-19(24)23(18-14-9-8-11-15(18)2)21-22-20(16(3)25-21)17-12-6-5-7-13-17/h5-9,11-14H,4,10H2,1-3H3
InChIKeyUXANAKLKCCJFMR-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.89
Rot. Bonds5

About N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide

N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide (PubChem CID 990836) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide
PubChem CID990836
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC NameN-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)N(c1nc(-c2ccccc2)c(C)s1)c1ccccc1C
InChIInChI=1S/C21H22N2OS/c1-4-10-19(24)23(18-14-9-8-11-15(18)2)21-22-20(16(3)25-21)17-12-6-5-7-13-17/h5-9,11-14H,4,10H2,1-3H3
InChIKeyUXANAKLKCCJFMR-UHFFFAOYSA-N
XLogP5.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide
CID 2194793
N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 1313348
N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 2194677
N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 2194632
N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2195037
N-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 2194695
4-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-propanoylamino]benzoic acid
CID 1313486
methyl 4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-propylamino]methyl]benzoate
CID 67146155
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide
CID 1303421
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55462709
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62766149

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide (CID 990836) is N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide is CCCC(=O)N(c1nc(-c2ccccc2)c(C)s1)c1ccccc1C.
What is the InChIKey of N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is UXANAKLKCCJFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-4-10-19(24)23(18-14-9-8-11-15(18)2)21-22-20(16(3)25-21)17-12-6-5-7-13-17/h5-9,11-14H,4,10H2,1-3H3.
What are the key properties of N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide?
N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 350.49 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 990836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).