4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole

C14H15Cl2NS — CID 79448261

IUPAC4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole
SMILESCc1ccc(C(CCl)(CCl)Cc2cscn2)cc1
InChIInChI=1S/C14H15Cl2NS/c1-11-2-4-12(5-3-11)14(8-15,9-16)6-13-7-18-10-17-13/h2-5,7,10H,6,8-9H2,1H3
InChIKeyAXQUSDUDXWOHKY-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.41
Rot. Bonds5

About 4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole

4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole (PubChem CID 79448261) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole
PubChem CID79448261
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole
SMILESCc1ccc(C(CCl)(CCl)Cc2cscn2)cc1
InChIInChI=1S/C14H15Cl2NS/c1-11-2-4-12(5-3-11)14(8-15,9-16)6-13-7-18-10-17-13/h2-5,7,10H,6,8-9H2,1H3
InChIKeyAXQUSDUDXWOHKY-UHFFFAOYSA-N
XLogP4.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-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-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-thiazole
CID 79453419
1-[1-chloro-2-(chloromethyl)-3-(4-methylphenyl)propan-2-yl]-4-methylbenzene
CID 79448356
4-(2,2,2-trichloroethyl)-1,3-thiazole
CID 90764072
4-[3-bromo-2-(bromomethyl)-2-(3-methylphenyl)propyl]-1,3-thiazole
CID 79455418
5-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1-methyl-1,2,4-triazole
CID 79448082
4-[2,2-bis(chloromethyl)-4-methylpentyl]-1,3-thiazole
CID 79447024
4-chloro-5-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-dimethylpyrazole
CID 79446784
1-chloro-3-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]benzene
CID 79447991
5-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1-ethyl-3-methylpyrazole
CID 79446601
(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492
4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
CID 79451367
1-[1-chloro-2-(chloromethyl)-4-propylsulfonylbutan-2-yl]-4-methylbenzene
CID 106734860

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole?
The IUPAC name of 4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole (CID 79448261) is 4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole.
What is the SMILES notation for 4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole?
The canonical SMILES for 4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole is Cc1ccc(C(CCl)(CCl)Cc2cscn2)cc1.
What is the InChIKey of 4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole?
The InChIKey is AXQUSDUDXWOHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-11-2-4-12(5-3-11)14(8-15,9-16)6-13-7-18-10-17-13/h2-5,7,10H,6,8-9H2,1H3.
What are the key properties of 4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole?
4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole has a molecular weight of 300.25 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole is sourced from PubChem (CID 79448261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).