2-(bromomethyl)-4-propan-2-yl-1,3-thiazole

C7H10BrNS — CID 22063597

IUPAC2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(CBr)n1
InChIInChI=1S/C7H10BrNS/c1-5(2)6-4-10-7(3-8)9-6/h4-5H,3H2,1-2H3
InChIKeyVCMVMMBPKAHJHO-UHFFFAOYSA-N
MW220.13 g/mol
LogP3.16
Rot. Bonds2

About 2-(bromomethyl)-4-propan-2-yl-1,3-thiazole

2-(bromomethyl)-4-propan-2-yl-1,3-thiazole (PubChem CID 22063597) has the molecular formula C7H10BrNS and a molecular weight of 220.13 g/mol. Its IUPAC name is 2-(bromomethyl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
PubChem CID22063597
Molecular FormulaC7H10BrNS
Molecular Weight220.13 g/mol
Exact Mass218.97
IUPAC Name2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(CBr)n1
InChIInChI=1S/C7H10BrNS/c1-5(2)6-4-10-7(3-8)9-6/h4-5H,3H2,1-2H3
InChIKeyVCMVMMBPKAHJHO-UHFFFAOYSA-N
XLogP3.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-4-propan-2-yl-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

(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
CID 22949810
2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile
CID 43119799
4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968635
[2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 83967573
2-(2-phenylethyl)-4-propan-2-yl-1,3-thiazole
CID 115618223
2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole
CID 113415629
3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 116969697
N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 82102841
2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 115757174
2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one
CID 70064429
4-bromo-2-(bromomethyl)-1,3-thiazole
CID 59591444

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(bromomethyl)-4-propan-2-yl-1,3-thiazole (CID 22063597) is 2-(bromomethyl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(bromomethyl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(bromomethyl)-4-propan-2-yl-1,3-thiazole is CC(C)c1csc(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is VCMVMMBPKAHJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNS/c1-5(2)6-4-10-7(3-8)9-6/h4-5H,3H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4-propan-2-yl-1,3-thiazole?
2-(bromomethyl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 220.13 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 22063597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).