2-(chloromethyl)-5-methyl-4-propan-2-yl-1,3-thiazole

C8H12ClNS — CID 62923237

IUPAC2-(chloromethyl)-5-methyl-4-propan-2-yl-1,3-thiazole
SMILESCc1sc(CCl)nc1C(C)C
InChIInChI=1S/C8H12ClNS/c1-5(2)8-6(3)11-7(4-9)10-8/h5H,4H2,1-3H3
InChIKeyRWPJOLKRICPRST-UHFFFAOYSA-N
MW189.71 g/mol
LogP3.31
Rot. Bonds2

About 2-(chloromethyl)-5-methyl-4-propan-2-yl-1,3-thiazole

2-(chloromethyl)-5-methyl-4-propan-2-yl-1,3-thiazole (PubChem CID 62923237) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-4-propan-2-yl-1,3-thiazole
PubChem CID62923237
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name2-(chloromethyl)-5-methyl-4-propan-2-yl-1,3-thiazole
SMILESCc1sc(CCl)nc1C(C)C
InChIInChI=1S/C8H12ClNS/c1-5(2)8-6(3)11-7(4-9)10-8/h5H,4H2,1-3H3
InChIKeyRWPJOLKRICPRST-UHFFFAOYSA-N
XLogP3.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-5-methyl-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

5-methyl-4-propan-2-yl-2-propyl-1,3-thiazole
CID 130511938
2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole
CID 139022366
N'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 119129397
2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine
CID 119147362
[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82434602
2-(chloromethyl)-5-methyl-4-(2,3,4-trimethylphenyl)-1,3-thiazole
CID 116867921
2-(chloromethyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazole
CID 116867883
4-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 83188013
2-(chloromethyl)-4-phenyl-5-propan-2-yl-1,3-thiazole
CID 62921644
2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one
CID 139013135
5-(chloromethyl)-2-methyl-4-propan-2-yl-1H-imidazole
CID 165441572
2-ethyl-5-methoxy-4-propan-2-yl-1,3-thiazole
CID 174404284

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(chloromethyl)-5-methyl-4-propan-2-yl-1,3-thiazole (CID 62923237) is 2-(chloromethyl)-5-methyl-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(chloromethyl)-5-methyl-4-propan-2-yl-1,3-thiazole is Cc1sc(CCl)nc1C(C)C.
What is the InChIKey of 2-(chloromethyl)-5-methyl-4-propan-2-yl-1,3-thiazole?
The InChIKey is RWPJOLKRICPRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNS/c1-5(2)8-6(3)11-7(4-9)10-8/h5H,4H2,1-3H3.
What are the key properties of 2-(chloromethyl)-5-methyl-4-propan-2-yl-1,3-thiazole?
2-(chloromethyl)-5-methyl-4-propan-2-yl-1,3-thiazole has a molecular weight of 189.71 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 62923237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).