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

C15H17BrN2OS — CID 107908820

IUPAC5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
SMILESCc1nc(-c2cccc(NC(=O)CCCCBr)c2)cs1
InChIInChI=1S/C15H17BrN2OS/c1-11-17-14(10-20-11)12-5-4-6-13(9-12)18-15(19)7-2-3-8-16/h4-6,9-10H,2-3,7-8H2,1H3,(H,18,19)
InChIKeyONRJTLLQZUVNIV-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.62
Rot. Bonds6

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

5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide (PubChem CID 107908820) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
PubChem CID107908820
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
SMILESCc1nc(-c2cccc(NC(=O)CCCCBr)c2)cs1
InChIInChI=1S/C15H17BrN2OS/c1-11-17-14(10-20-11)12-5-4-6-13(9-12)18-15(19)7-2-3-8-16/h4-6,9-10H,2-3,7-8H2,1H3,(H,18,19)
InChIKeyONRJTLLQZUVNIV-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.62
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

2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
2-[butyl(ethyl)amino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 34603207
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
CID 17490429
4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide
CID 30858687
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 30859534
2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26507291
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide?
The IUPAC name of 5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide (CID 107908820) is 5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide?
The canonical SMILES for 5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide is Cc1nc(-c2cccc(NC(=O)CCCCBr)c2)cs1.
What is the InChIKey of 5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide?
The InChIKey is ONRJTLLQZUVNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-11-17-14(10-20-11)12-5-4-6-13(9-12)18-15(19)7-2-3-8-16/h4-6,9-10H,2-3,7-8H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide?
5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide has a molecular weight of 353.29 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide is sourced from PubChem (CID 107908820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).