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

C10H8ClNOS — CID 4998959

IUPAC4-(2-chloro-4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2cscn2)c(Cl)c1
InChIInChI=1S/C10H8ClNOS/c1-13-7-2-3-8(9(11)4-7)10-5-14-6-12-10/h2-6H,1H3
InChIKeyWRLINSUVOAWIFR-UHFFFAOYSA-N
MW225.70 g/mol
LogP3.47
Rot. Bonds2

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

4-(2-chloro-4-methoxyphenyl)-1,3-thiazole (PubChem CID 4998959) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is 4-(2-chloro-4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-chloro-4-methoxyphenyl)-1,3-thiazole
PubChem CID4998959
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name4-(2-chloro-4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2cscn2)c(Cl)c1
InChIInChI=1S/C10H8ClNOS/c1-13-7-2-3-8(9(11)4-7)10-5-14-6-12-10/h2-6H,1H3
InChIKeyWRLINSUVOAWIFR-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

4-(2,4-dichlorophenyl)-1,3-thiazole
CID 4009904
1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 134628384
2-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 116868424
4-(4-fluoro-2-methoxyphenyl)-1,3-thiazole
CID 177183935
4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole
CID 175271280
4-(2,3,4-trimethoxyphenyl)-1,3-thiazole
CID 5239941
4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole
CID 70319073
5-chloro-2-(1,3-thiazol-4-yl)aniline
CID 130774740
2-bromo-5-(2-chloro-4-methoxyphenyl)-1H-imidazole
CID 116884290
sodium 2-chloro-4-methoxyphenolate
CID 23710122
1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 119018458
2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine
CID 116864439

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-(2-chloro-4-methoxyphenyl)-1,3-thiazole (CID 4998959) is 4-(2-chloro-4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-chloro-4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-(2-chloro-4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2cscn2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methoxyphenyl)-1,3-thiazole?
The InChIKey is WRLINSUVOAWIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c1-13-7-2-3-8(9(11)4-7)10-5-14-6-12-10/h2-6H,1H3.
What are the key properties of 4-(2-chloro-4-methoxyphenyl)-1,3-thiazole?
4-(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 4-(2-chloro-4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 4998959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).