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

C15H11ClN2S — CID 4822801

IUPAC4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole
SMILESCc1sc(-c2ccccn2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2S/c1-10-14(11-5-7-12(16)8-6-11)18-15(19-10)13-4-2-3-9-17-13/h2-9H,1H3
InChIKeyRWWPMZYXSXIWEO-UHFFFAOYSA-N
MW286.79 g/mol
LogP4.83
Rot. Bonds2

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

4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole (PubChem CID 4822801) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole
PubChem CID4822801
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Name4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole
SMILESCc1sc(-c2ccccn2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2S/c1-10-14(11-5-7-12(16)8-6-11)18-15(19-10)13-4-2-3-9-17-13/h2-9H,1H3
InChIKeyRWWPMZYXSXIWEO-UHFFFAOYSA-N
XLogP4.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole (CID 4822801) is 4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole is Cc1sc(-c2ccccn2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is RWWPMZYXSXIWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S/c1-10-14(11-5-7-12(16)8-6-11)18-15(19-10)13-4-2-3-9-17-13/h2-9H,1H3.
What are the key properties of 4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole?
4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 286.79 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 4822801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).