2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide

C10H15BrN2OS — CID 43470560

IUPAC2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide
SMILESCc1nc(NC(=O)C(Br)C(C)C)sc1C
InChIInChI=1S/C10H15BrN2OS/c1-5(2)8(11)9(14)13-10-12-6(3)7(4)15-10/h5,8H,1-4H3,(H,12,13,14)
InChIKeyVEFAUPSVRLQSAD-UHFFFAOYSA-N
MW291.21 g/mol
LogP3.12
Rot. Bonds3

About 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide

2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide (PubChem CID 43470560) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide
PubChem CID43470560
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide
SMILESCc1nc(NC(=O)C(Br)C(C)C)sc1C
InChIInChI=1S/C10H15BrN2OS/c1-5(2)8(11)9(14)13-10-12-6(3)7(4)15-10/h5,8H,1-4H3,(H,12,13,14)
InChIKeyVEFAUPSVRLQSAD-UHFFFAOYSA-N
XLogP3.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxypropanamide
CID 23879897
2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 47098598
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 61467509
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 813223
1-(cyanomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea
CID 108864824
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 119269701
(2S)-2-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 28663164
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-yloxyacetamide
CID 47413054
2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 112811581
trans-[(2S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 30610652
2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 24647862
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 78976406

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide?
The IUPAC name of 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide (CID 43470560) is 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide is Cc1nc(NC(=O)C(Br)C(C)C)sc1C.
What is the InChIKey of 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide?
The InChIKey is VEFAUPSVRLQSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-5(2)8(11)9(14)13-10-12-6(3)7(4)15-10/h5,8H,1-4H3,(H,12,13,14).
What are the key properties of 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide?
2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide has a molecular weight of 291.21 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide is sourced from PubChem (CID 43470560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).