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

C13H14ClNO3S — CID 107511912

IUPAC2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(-c2cc(Cl)c(OC)c(OC)c2)n1
InChIInChI=1S/C13H14ClNO3S/c1-16-6-9-7-19-13(15-9)8-4-10(14)12(18-3)11(5-8)17-2/h4-5,7H,6H2,1-3H3
InChIKeySYYUZTSYQZHRMM-UHFFFAOYSA-N
MW299.78 g/mol
LogP3.63
Rot. Bonds5

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

2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole (PubChem CID 107511912) has the molecular formula C13H14ClNO3S and a molecular weight of 299.78 g/mol. Its IUPAC name is 2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole
PubChem CID107511912
Molecular FormulaC13H14ClNO3S
Molecular Weight299.78 g/mol
Exact Mass299.04
IUPAC Name2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(-c2cc(Cl)c(OC)c(OC)c2)n1
InChIInChI=1S/C13H14ClNO3S/c1-16-6-9-7-19-13(15-9)8-4-10(14)12(18-3)11(5-8)17-2/h4-5,7H,6H2,1-3H3
InChIKeySYYUZTSYQZHRMM-UHFFFAOYSA-N
XLogP3.63
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 22692340
methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 80574115
2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 142201325
2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole
CID 10146456
2-[2-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20989993
4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole
CID 107511959
2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512046
2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511921
2-[2-(3-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 4980358
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate
CID 41070520
[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 82383295
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chloro-4,5-difluorobenzoate
CID 16528229

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole (CID 107511912) is 2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole is COCc1csc(-c2cc(Cl)c(OC)c(OC)c2)n1.
What is the InChIKey of 2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole?
The InChIKey is SYYUZTSYQZHRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3S/c1-16-6-9-7-19-13(15-9)8-4-10(14)12(18-3)11(5-8)17-2/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole?
2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole has a molecular weight of 299.78 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 107511912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).