4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole

C13H14ClNOS — CID 116888989

IUPAC4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole
SMILESCOc1ccc(C)cc1-c1nc(CCCl)cs1
InChIInChI=1S/C13H14ClNOS/c1-9-3-4-12(16-2)11(7-9)13-15-10(5-6-14)8-17-13/h3-4,7-8H,5-6H2,1-2H3
InChIKeyMQGWGRAUXLGRDQ-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.91
Rot. Bonds4

About 4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole

4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole (PubChem CID 116888989) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole
PubChem CID116888989
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole
SMILESCOc1ccc(C)cc1-c1nc(CCCl)cs1
InChIInChI=1S/C13H14ClNOS/c1-9-3-4-12(16-2)11(7-9)13-15-10(5-6-14)8-17-13/h3-4,7-8H,5-6H2,1-2H3
InChIKeyMQGWGRAUXLGRDQ-UHFFFAOYSA-N
XLogP3.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 82087185
[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]methanethiol
CID 116889454
2-(3-bromo-4-methoxyphenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116888995
2-(2-methoxy-5-methylphenyl)-4-phenyl-1,3-thiazole
CID 142708637
5-(2-chloroethyl)-4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazole
CID 28710063
2-[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890545
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888128
3-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888272
[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 39354147
4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 82094625
[2-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-4-yl]methanethiol
CID 116889475

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole (CID 116888989) is 4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole is COc1ccc(C)cc1-c1nc(CCCl)cs1.
What is the InChIKey of 4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole?
The InChIKey is MQGWGRAUXLGRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-9-3-4-12(16-2)11(7-9)13-15-10(5-6-14)8-17-13/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole?
4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole has a molecular weight of 267.78 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 116888989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).