2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole

C14H16ClNS — CID 116965567

IUPAC2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(CCCl)n2)c(C)c1C
InChIInChI=1S/C14H16ClNS/c1-9-4-5-12(11(3)10(9)2)13-8-17-14(16-13)6-7-15/h4-5,8H,6-7H2,1-3H3
InChIKeyAKEZBLQPUDXLEV-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.52
Rot. Bonds3

About 2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole

2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole (PubChem CID 116965567) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole
PubChem CID116965567
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(CCCl)n2)c(C)c1C
InChIInChI=1S/C14H16ClNS/c1-9-4-5-12(11(3)10(9)2)13-8-17-14(16-13)6-7-15/h4-5,8H,6-7H2,1-3H3
InChIKeyAKEZBLQPUDXLEV-UHFFFAOYSA-N
XLogP4.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 116866839
2-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968887
2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride
CID 67878325
2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole
CID 82117610
4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole
CID 82124733
2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
CID 82122307
2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole
CID 116970066
2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116867853
4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965147
O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39351081
2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3920686
1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964953

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole?
The IUPAC name of 2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole (CID 116965567) is 2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole is Cc1ccc(-c2csc(CCCl)n2)c(C)c1C.
What is the InChIKey of 2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole?
The InChIKey is AKEZBLQPUDXLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-9-4-5-12(11(3)10(9)2)13-8-17-14(16-13)6-7-15/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole?
2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole has a molecular weight of 265.81 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 116965567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).