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

C10H8ClNOS — CID 116868424

IUPAC2-(2-chloro-4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nccs2)c(Cl)c1
InChIInChI=1S/C10H8ClNOS/c1-13-7-2-3-8(9(11)6-7)10-12-4-5-14-10/h2-6H,1H3
InChIKeyWWFUGJPMNZPREL-UHFFFAOYSA-N
MW225.70 g/mol
LogP3.47
Rot. Bonds2

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

2-(2-chloro-4-methoxyphenyl)-1,3-thiazole (PubChem CID 116868424) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-1,3-thiazole
PubChem CID116868424
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name2-(2-chloro-4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nccs2)c(Cl)c1
InChIInChI=1S/C10H8ClNOS/c1-13-7-2-3-8(9(11)6-7)10-12-4-5-14-10/h2-6H,1H3
InChIKeyWWFUGJPMNZPREL-UHFFFAOYSA-N
XLogP3.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole
CID 175077266
5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid
CID 171617965
2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole
CID 116868419
2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole
CID 169050195
2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine
CID 116864439
2-(2,3,4-trichlorophenyl)-1,3-thiazole
CID 118802426
1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone
CID 116890216
4-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 4998959
2-(2-chloro-4-methoxyphenyl)-3-methylpyridine
CID 42624977
5-methoxy-2-[5-methyl-4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]phenol
CID 137182492
1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 134628384
6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine
CID 71027685

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-1,3-thiazole (CID 116868424) is 2-(2-chloro-4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2nccs2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-1,3-thiazole?
The InChIKey is WWFUGJPMNZPREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c1-13-7-2-3-8(9(11)6-7)10-12-4-5-14-10/h2-6H,1H3.
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-1,3-thiazole?
2-(2-chloro-4-methoxyphenyl)-1,3-thiazole has a molecular weight of 225.70 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 116868424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).