5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide

C10H15BrN2OS — CID 107909892

IUPAC5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
SMILESCN(Cc1cscn1)C(=O)CCCCBr
InChIInChI=1S/C10H15BrN2OS/c1-13(6-9-7-15-8-12-9)10(14)4-2-3-5-11/h7-8H,2-6H2,1H3
InChIKeyQTAPVWIOPGLKOB-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.67
Rot. Bonds6

About 5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide

5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide (PubChem CID 107909892) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
PubChem CID107909892
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
SMILESCN(Cc1cscn1)C(=O)CCCCBr
InChIInChI=1S/C10H15BrN2OS/c1-13(6-9-7-15-8-12-9)10(14)4-2-3-5-11/h7-8H,2-6H2,1H3
InChIKeyQTAPVWIOPGLKOB-UHFFFAOYSA-N
XLogP2.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.67
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide?
The IUPAC name of 5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide (CID 107909892) is 5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide?
The canonical SMILES for 5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide is CN(Cc1cscn1)C(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide?
The InChIKey is QTAPVWIOPGLKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-13(6-9-7-15-8-12-9)10(14)4-2-3-5-11/h7-8H,2-6H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide?
5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide has a molecular weight of 291.21 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide is sourced from PubChem (CID 107909892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).