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

C10H15BrN2OS — CID 107910060

IUPAC5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
SMILESO=C(CCCCBr)NCCc1nccs1
InChIInChI=1S/C10H15BrN2OS/c11-5-2-1-3-9(14)12-6-4-10-13-7-8-15-10/h7-8H,1-6H2,(H,12,14)
InChIKeyNKPLSCGABXWDSS-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.37
Rot. Bonds7

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

5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide (PubChem CID 107910060) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
PubChem CID107910060
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
SMILESO=C(CCCCBr)NCCc1nccs1
InChIInChI=1S/C10H15BrN2OS/c11-5-2-1-3-9(14)12-6-4-10-13-7-8-15-10/h7-8H,1-6H2,(H,12,14)
InChIKeyNKPLSCGABXWDSS-UHFFFAOYSA-N
XLogP2.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.37
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

5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid
CID 119235090
3-bromo-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110922
4-(bromomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113241891
4-(azepan-1-yl)-4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 135099676
5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106033629
N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 67124836
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029539
6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 66462176
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357196
2-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 63240285

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide?
The IUPAC name of 5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide (CID 107910060) is 5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide?
The canonical SMILES for 5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide is O=C(CCCCBr)NCCc1nccs1.
What is the InChIKey of 5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide?
The InChIKey is NKPLSCGABXWDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c11-5-2-1-3-9(14)12-6-4-10-13-7-8-15-10/h7-8H,1-6H2,(H,12,14).
What are the key properties of 5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide?
5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide has a molecular weight of 291.21 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide is sourced from PubChem (CID 107910060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).