2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole

C10H16BrNS — CID 83143079

IUPAC2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole
SMILESCC(C)(C)C(CBr)Cc1nccs1
InChIInChI=1S/C10H16BrNS/c1-10(2,3)8(7-11)6-9-12-4-5-13-9/h4-5,8H,6-7H2,1-3H3
InChIKeyOXQIIYIZANPTTC-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.74
Rot. Bonds3

About 2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole

2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole (PubChem CID 83143079) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole
PubChem CID83143079
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC Name2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole
SMILESCC(C)(C)C(CBr)Cc1nccs1
InChIInChI=1S/C10H16BrNS/c1-10(2,3)8(7-11)6-9-12-4-5-13-9/h4-5,8H,6-7H2,1-3H3
InChIKeyOXQIIYIZANPTTC-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole
CID 58032030
4-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole
CID 83142562
3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105015255
[3,3-dimethyl-1-(1,3-thiazol-2-yl)pentan-2-yl]hydrazine
CID 105324712
[3-methyl-1-(1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105199664
(2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 59948549
1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825119
2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79819044
3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116757294
2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899410
3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79824374

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole?
The IUPAC name of 2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole (CID 83143079) is 2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole is CC(C)(C)C(CBr)Cc1nccs1.
What is the InChIKey of 2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole?
The InChIKey is OXQIIYIZANPTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-10(2,3)8(7-11)6-9-12-4-5-13-9/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole?
2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole has a molecular weight of 262.22 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole is sourced from PubChem (CID 83143079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).