N-butyl-4-(1,3-thiazol-2-yl)benzamide

C14H16N2OS — CID 110690289

IUPACN-butyl-4-(1,3-thiazol-2-yl)benzamide
SMILESCCCCNC(=O)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C14H16N2OS/c1-2-3-8-15-13(17)11-4-6-12(7-5-11)14-16-9-10-18-14/h4-7,9-10H,2-3,8H2,1H3,(H,15,17)
InChIKeyNGNSBYRLICPXRY-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.34
Rot. Bonds5

About N-butyl-4-(1,3-thiazol-2-yl)benzamide

N-butyl-4-(1,3-thiazol-2-yl)benzamide (PubChem CID 110690289) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-butyl-4-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-butyl-4-(1,3-thiazol-2-yl)benzamide
PubChem CID110690289
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-butyl-4-(1,3-thiazol-2-yl)benzamide
SMILESCCCCNC(=O)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C14H16N2OS/c1-2-3-8-15-13(17)11-4-6-12(7-5-11)14-16-9-10-18-14/h4-7,9-10H,2-3,8H2,1H3,(H,15,17)
InChIKeyNGNSBYRLICPXRY-UHFFFAOYSA-N
XLogP3.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-(1,3-thiazol-2-yloxy)benzamide
CID 91813695
N-butyl-4-thiophen-3-ylbenzamide
CID 155529683
N-butyl-4-phenylbenzamide
CID 3637649
1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103579
N-butylpyridine-4-carboxamide
CID 5030535
N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)benzamide
CID 110690313
bis[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 146425122
4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide
CID 27701568
N-pentyl-1,3-thiazole-2-carboxamide
CID 110695980
N-octyl-4-(1,3-thiazol-2-yl)aniline
CID 63448826
4-[[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N-butylbenzamide
CID 111070846
4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357165

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-butyl-4-(1,3-thiazol-2-yl)benzamide (CID 110690289) is N-butyl-4-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-butyl-4-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-butyl-4-(1,3-thiazol-2-yl)benzamide is CCCCNC(=O)c1ccc(-c2nccs2)cc1.
What is the InChIKey of N-butyl-4-(1,3-thiazol-2-yl)benzamide?
The InChIKey is NGNSBYRLICPXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-3-8-15-13(17)11-4-6-12(7-5-11)14-16-9-10-18-14/h4-7,9-10H,2-3,8H2,1H3,(H,15,17).
What are the key properties of N-butyl-4-(1,3-thiazol-2-yl)benzamide?
N-butyl-4-(1,3-thiazol-2-yl)benzamide has a molecular weight of 260.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 110690289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).