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

C12H12ClNOS — CID 82088342

IUPAC4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(CCCl)cs2)c1
InChIInChI=1S/C12H12ClNOS/c1-15-11-4-2-3-9(7-11)12-14-10(5-6-13)8-16-12/h2-4,7-8H,5-6H2,1H3
InChIKeyGHIRCZSWMCPJOZ-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.60
Rot. Bonds4

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

4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole (PubChem CID 82088342) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
PubChem CID82088342
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(CCCl)cs2)c1
InChIInChI=1S/C12H12ClNOS/c1-15-11-4-2-3-9(7-11)12-14-10(5-6-13)8-16-12/h2-4,7-8H,5-6H2,1H3
InChIKeyGHIRCZSWMCPJOZ-UHFFFAOYSA-N
XLogP3.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.60
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-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 115089431
4-(3-chloropropyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazole
CID 103399605
2-(3-bromo-4-methoxyphenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116888995
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7693515
2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole
CID 52772137
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one
CID 8934402
2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole
CID 134051441
N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide
CID 110333198
4-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317450
4-[3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propanoyl]piperazine-1-carbaldehyde
CID 110333190
3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide
CID 110333218

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole (CID 82088342) is 4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole is COc1cccc(-c2nc(CCCl)cs2)c1.
What is the InChIKey of 4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole?
The InChIKey is GHIRCZSWMCPJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-15-11-4-2-3-9(7-11)12-14-10(5-6-13)8-16-12/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole?
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole has a molecular weight of 253.75 g/mol, XLogP of 3.60, 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-(3-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 82088342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).