5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide

C14H15BrN2OS — CID 114014790

IUPAC5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
SMILESO=C(CCCCBr)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C14H15BrN2OS/c15-8-2-1-3-13(18)17-12-6-4-11(5-7-12)14-16-9-10-19-14/h4-7,9-10H,1-3,8H2,(H,17,18)
InChIKeyOEVNHKSXFLWHLZ-UHFFFAOYSA-N
MW339.26 g/mol
LogP4.31
Rot. Bonds6

About 5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide

5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide (PubChem CID 114014790) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
PubChem CID114014790
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
SMILESO=C(CCCCBr)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C14H15BrN2OS/c15-8-2-1-3-13(18)17-12-6-4-11(5-7-12)14-16-9-10-19-14/h4-7,9-10H,1-3,8H2,(H,17,18)
InChIKeyOEVNHKSXFLWHLZ-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride
CID 119686436
5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
CID 82852078
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495
5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 24648854
N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 9114606
3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 112764369
5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 107909041
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
2-amino-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60926946
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903
2-[(2-methylpropan-2-yl)oxy]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 115950100
2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide
CID 24648849

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide?
The IUPAC name of 5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide (CID 114014790) is 5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide?
The canonical SMILES for 5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide is O=C(CCCCBr)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide?
The InChIKey is OEVNHKSXFLWHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c15-8-2-1-3-13(18)17-12-6-4-11(5-7-12)14-16-9-10-19-14/h4-7,9-10H,1-3,8H2,(H,17,18).
What are the key properties of 5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide?
5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide has a molecular weight of 339.26 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide is sourced from PubChem (CID 114014790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).