4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole

C12H12ClNO2S — CID 116969940

IUPAC4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole
SMILESCOCc1nc(-c2cc(Cl)ccc2OC)cs1
InChIInChI=1S/C12H12ClNO2S/c1-15-6-12-14-10(7-17-12)9-5-8(13)3-4-11(9)16-2/h3-5,7H,6H2,1-2H3
InChIKeySOTBQAFDKIMCKG-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.62
Rot. Bonds4

About 4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole

4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole (PubChem CID 116969940) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole
PubChem CID116969940
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole
SMILESCOCc1nc(-c2cc(Cl)ccc2OC)cs1
InChIInChI=1S/C12H12ClNO2S/c1-15-6-12-14-10(7-17-12)9-5-8(13)3-4-11(9)16-2/h3-5,7H,6H2,1-2H3
InChIKeySOTBQAFDKIMCKG-UHFFFAOYSA-N
XLogP3.62
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968816
4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566839
2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
CID 62922717
6-chloro-3-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]chromen-2-one
CID 2307482
4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969941
[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 82124686
[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965875
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303
4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole
CID 67357807
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968837
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558486

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole (CID 116969940) is 4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole is COCc1nc(-c2cc(Cl)ccc2OC)cs1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole?
The InChIKey is SOTBQAFDKIMCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c1-15-6-12-14-10(7-17-12)9-5-8(13)3-4-11(9)16-2/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole?
4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole has a molecular weight of 269.75 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 116969940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).