2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide

C10H15BrN2OS — CID 62855821

IUPAC2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCCC(Br)C(=O)N(C)Cc1csc(C)n1
InChIInChI=1S/C10H15BrN2OS/c1-4-9(11)10(14)13(3)5-8-6-15-7(2)12-8/h6,9H,4-5H2,1-3H3
InChIKeyMVZHONBZRNDHND-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.58
Rot. Bonds4

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

2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 62855821) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID62855821
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCCC(Br)C(=O)N(C)Cc1csc(C)n1
InChIInChI=1S/C10H15BrN2OS/c1-4-9(11)10(14)13(3)5-8-6-15-7(2)12-8/h6,9H,4-5H2,1-3H3
InChIKeyMVZHONBZRNDHND-UHFFFAOYSA-N
XLogP2.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide (CID 62855821) is 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide is CCC(Br)C(=O)N(C)Cc1csc(C)n1.
What is the InChIKey of 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is MVZHONBZRNDHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-4-9(11)10(14)13(3)5-8-6-15-7(2)12-8/h6,9H,4-5H2,1-3H3.
What are the key properties of 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 291.21 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 62855821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).