4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole

C13H14ClNOS — CID 116892294

IUPAC4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
SMILESCOc1c(C)cc(-c2nc(Cl)cs2)c(C)c1C
InChIInChI=1S/C13H14ClNOS/c1-7-5-10(13-15-11(14)6-17-13)8(2)9(3)12(7)16-4/h5-6H,1-4H3
InChIKeyNXIJVNFAUJQXOT-UHFFFAOYSA-N
MW267.78 g/mol
LogP4.40
Rot. Bonds2

About 4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole

4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole (PubChem CID 116892294) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
PubChem CID116892294
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
SMILESCOc1c(C)cc(-c2nc(Cl)cs2)c(C)c1C
InChIInChI=1S/C13H14ClNOS/c1-7-5-10(13-15-11(14)6-17-13)8(2)9(3)12(7)16-4/h5-6H,1-4H3
InChIKeyNXIJVNFAUJQXOT-UHFFFAOYSA-N
XLogP4.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole (CID 116892294) is 4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole is COc1c(C)cc(-c2nc(Cl)cs2)c(C)c1C.
What is the InChIKey of 4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole?
The InChIKey is NXIJVNFAUJQXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-7-5-10(13-15-11(14)6-17-13)8(2)9(3)12(7)16-4/h5-6H,1-4H3.
What are the key properties of 4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole?
4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole has a molecular weight of 267.78 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 116892294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).