5-(4-chlorophenyl)-2-methyl-1,3-thiazole

C10H8ClNS — CID 4166962

IUPAC5-(4-chlorophenyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H8ClNS/c1-7-12-6-10(13-7)8-2-4-9(11)5-3-8/h2-6H,1H3
InChIKeyVILMQRABALTXKG-UHFFFAOYSA-N
MW209.70 g/mol
LogP3.77
Rot. Bonds1

About 5-(4-chlorophenyl)-2-methyl-1,3-thiazole

5-(4-chlorophenyl)-2-methyl-1,3-thiazole (PubChem CID 4166962) has the molecular formula C10H8ClNS and a molecular weight of 209.70 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-1,3-thiazole
PubChem CID4166962
Molecular FormulaC10H8ClNS
Molecular Weight209.70 g/mol
Exact Mass209.01
IUPAC Name5-(4-chlorophenyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H8ClNS/c1-7-12-6-10(13-7)8-2-4-9(11)5-3-8/h2-6H,1H3
InChIKeyVILMQRABALTXKG-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 5-(4-chlorophenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-1,3-thiazole (CID 4166962) is 5-(4-chlorophenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-1,3-thiazole is Cc1ncc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-1,3-thiazole?
The InChIKey is VILMQRABALTXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS/c1-7-12-6-10(13-7)8-2-4-9(11)5-3-8/h2-6H,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-methyl-1,3-thiazole?
5-(4-chlorophenyl)-2-methyl-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 5-(4-chlorophenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 4166962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).