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

C11H17BrN2OS — CID 106033629

IUPAC5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
SMILESCc1nc(CCNC(=O)CCCCBr)cs1
InChIInChI=1S/C11H17BrN2OS/c1-9-14-10(8-16-9)5-7-13-11(15)4-2-3-6-12/h8H,2-7H2,1H3,(H,13,15)
InChIKeyLRQXQACSJQYDDV-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.68
Rot. Bonds7

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

5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide (PubChem CID 106033629) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
PubChem CID106033629
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
SMILESCc1nc(CCNC(=O)CCCCBr)cs1
InChIInChI=1S/C11H17BrN2OS/c1-9-14-10(8-16-9)5-7-13-11(15)4-2-3-6-12/h8H,2-7H2,1H3,(H,13,15)
InChIKeyLRQXQACSJQYDDV-UHFFFAOYSA-N
XLogP2.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.68
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

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N-(3-aminobutyl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide;dihydrochloride
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N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
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2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
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2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide
CID 106041035
methyl 7-[[N'-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]heptanoate
CID 111932078
2-hydroxy-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 106509698
5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
CID 61282819
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
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2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide?
The IUPAC name of 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide (CID 106033629) is 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide?
The canonical SMILES for 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide is Cc1nc(CCNC(=O)CCCCBr)cs1.
What is the InChIKey of 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide?
The InChIKey is LRQXQACSJQYDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-9-14-10(8-16-9)5-7-13-11(15)4-2-3-6-12/h8H,2-7H2,1H3,(H,13,15).
What are the key properties of 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide?
5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide has a molecular weight of 305.24 g/mol, XLogP of 2.68, 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-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide is sourced from PubChem (CID 106033629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).