2-(3-chloro-2-methylphenyl)-1,3-thiazole

C10H8ClNS — CID 57198731

IUPAC2-(3-chloro-2-methylphenyl)-1,3-thiazole
SMILESCc1c(Cl)cccc1-c1nccs1
InChIInChI=1S/C10H8ClNS/c1-7-8(3-2-4-9(7)11)10-12-5-6-13-10/h2-6H,1H3
InChIKeyFZFXREVNBZWVGU-UHFFFAOYSA-N
MW209.70 g/mol
LogP3.77
Rot. Bonds1

About 2-(3-chloro-2-methylphenyl)-1,3-thiazole

2-(3-chloro-2-methylphenyl)-1,3-thiazole (PubChem CID 57198731) has the molecular formula C10H8ClNS and a molecular weight of 209.70 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenyl)-1,3-thiazole
PubChem CID57198731
Molecular FormulaC10H8ClNS
Molecular Weight209.70 g/mol
Exact Mass209.01
IUPAC Name2-(3-chloro-2-methylphenyl)-1,3-thiazole
SMILESCc1c(Cl)cccc1-c1nccs1
InChIInChI=1S/C10H8ClNS/c1-7-8(3-2-4-9(7)11)10-12-5-6-13-10/h2-6H,1H3
InChIKeyFZFXREVNBZWVGU-UHFFFAOYSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.70
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-(3-chloro-2-methylphenyl)-1,3-thiazole (CID 57198731) is 2-(3-chloro-2-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-chloro-2-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(3-chloro-2-methylphenyl)-1,3-thiazole is Cc1c(Cl)cccc1-c1nccs1.
What is the InChIKey of 2-(3-chloro-2-methylphenyl)-1,3-thiazole?
The InChIKey is FZFXREVNBZWVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS/c1-7-8(3-2-4-9(7)11)10-12-5-6-13-10/h2-6H,1H3.
What are the key properties of 2-(3-chloro-2-methylphenyl)-1,3-thiazole?
2-(3-chloro-2-methylphenyl)-1,3-thiazole has a molecular weight of 209.70 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 57198731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).