2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole

C10H7Cl2NOS — CID 116868419

IUPAC2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole
SMILESCOc1cc(Cl)c(-c2nccs2)cc1Cl
InChIInChI=1S/C10H7Cl2NOS/c1-14-9-5-7(11)6(4-8(9)12)10-13-2-3-15-10/h2-5H,1H3
InChIKeyRLIGANFVHLODPH-UHFFFAOYSA-N
MW260.15 g/mol
LogP4.13
Rot. Bonds2

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

2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole (PubChem CID 116868419) has the molecular formula C10H7Cl2NOS and a molecular weight of 260.15 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole
PubChem CID116868419
Molecular FormulaC10H7Cl2NOS
Molecular Weight260.15 g/mol
Exact Mass258.96
IUPAC Name2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole
SMILESCOc1cc(Cl)c(-c2nccs2)cc1Cl
InChIInChI=1S/C10H7Cl2NOS/c1-14-9-5-7(11)6(4-8(9)12)10-13-2-3-15-10/h2-5H,1H3
InChIKeyRLIGANFVHLODPH-UHFFFAOYSA-N
XLogP4.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 116868424
2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole
CID 116868425
2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole
CID 169050195
2-(2,3,4-trichlorophenyl)-1,3-thiazole
CID 118802426
6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine
CID 95473457
2-(3-chloro-2-methylphenyl)-1,3-thiazole
CID 57198731
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
5-amino-2-chloro-4-(1,3-thiazol-2-yl)benzonitrile
CID 155271282
2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane
CID 168987343
2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 175748253
(2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid
CID 138684005

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole (CID 116868419) is 2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole is COc1cc(Cl)c(-c2nccs2)cc1Cl.
What is the InChIKey of 2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole?
The InChIKey is RLIGANFVHLODPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NOS/c1-14-9-5-7(11)6(4-8(9)12)10-13-2-3-15-10/h2-5H,1H3.
What are the key properties of 2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole?
2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole has a molecular weight of 260.15 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 116868419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).