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

C23H26N2OS — CID 2194793

IUPACN-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)N(c1nc(-c2ccccc2)c(CCC)s1)c1ccccc1C
InChIInChI=1S/C23H26N2OS/c1-4-11-20-22(18-14-7-6-8-15-18)24-23(27-20)25(21(26)12-5-2)19-16-10-9-13-17(19)3/h6-10,13-16H,4-5,11-12H2,1-3H3
InChIKeyPLVJEULFNHVOIE-UHFFFAOYSA-N
MW378.54 g/mol
LogP6.54
Rot. Bonds7

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

N-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide (PubChem CID 2194793) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide
PubChem CID2194793
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC NameN-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)N(c1nc(-c2ccccc2)c(CCC)s1)c1ccccc1C
InChIInChI=1S/C23H26N2OS/c1-4-11-20-22(18-14-7-6-8-15-18)24-23(27-20)25(21(26)12-5-2)19-16-10-9-13-17(19)3/h6-10,13-16H,4-5,11-12H2,1-3H3
InChIKeyPLVJEULFNHVOIE-UHFFFAOYSA-N
XLogP6.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide
CID 990836
N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 1313348
3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide
CID 2832379
5-butyl-2,4-diphenyl-1,3-thiazole
CID 58626562
2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62766149
5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine
CID 62765496
2-[4-(4-methylphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid
CID 71188401
4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4061770
methyl 4-[butanoyl-[4-(4-ethoxyphenyl)-5-ethyl-1,3-thiazol-2-yl]amino]benzoate
CID 2194717
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55462709
[2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol
CID 62780155
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 1347127

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide (CID 2194793) is N-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide is CCCC(=O)N(c1nc(-c2ccccc2)c(CCC)s1)c1ccccc1C.
What is the InChIKey of N-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is PLVJEULFNHVOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-4-11-20-22(18-14-7-6-8-15-18)24-23(27-20)25(21(26)12-5-2)19-16-10-9-13-17(19)3/h6-10,13-16H,4-5,11-12H2,1-3H3.
What are the key properties of N-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide?
N-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 378.54 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2194793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).