N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide

C19H18N2OS — CID 4099246

IUPACN-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C19H18N2OS/c1-2-9-16(22)20-19-21-17(14-10-5-3-6-11-14)18(23-19)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3,(H,20,21,22)
InChIKeySWRVGRFTEGHYCV-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.22
Rot. Bonds5

About N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide

N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide (PubChem CID 4099246) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
PubChem CID4099246
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C19H18N2OS/c1-2-9-16(22)20-19-21-17(14-10-5-3-6-11-14)18(23-19)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3,(H,20,21,22)
InChIKeySWRVGRFTEGHYCV-UHFFFAOYSA-N
XLogP5.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
2-(benzenesulfonyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide
CID 18573228
2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 146189979
4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126210220
4-(4-bromophenyl)-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126204377
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2481015
2-(butanoylamino)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 94970416
N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide
CID 126202408
(4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
CID 126213988
(4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
CID 126212541
N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 126203858

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide (CID 4099246) is N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide is CCCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is SWRVGRFTEGHYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-2-9-16(22)20-19-21-17(14-10-5-3-6-11-14)18(23-19)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3,(H,20,21,22).
What are the key properties of N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide?
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 322.43 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 4099246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).