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

C14H9ClN2S — CID 2806768

IUPAC4-(4-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESClc1ccc(-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C14H9ClN2S/c15-12-3-1-10(2-4-12)13-9-18-14(17-13)11-5-7-16-8-6-11/h1-9H
InChIKeyNNEPHBIYRFVPDJ-UHFFFAOYSA-N
MW272.76 g/mol
LogP4.53
Rot. Bonds2

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

4-(4-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 2806768) has the molecular formula C14H9ClN2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID2806768
Molecular FormulaC14H9ClN2S
Molecular Weight272.76 g/mol
Exact Mass272.02
IUPAC Name4-(4-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESClc1ccc(-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C14H9ClN2S/c15-12-3-1-10(2-4-12)13-9-18-14(17-13)11-5-7-16-8-6-11/h1-9H
InChIKeyNNEPHBIYRFVPDJ-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole (CID 2806768) is 4-(4-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole is Clc1ccc(-c2csc(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is NNEPHBIYRFVPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2S/c15-12-3-1-10(2-4-12)13-9-18-14(17-13)11-5-7-16-8-6-11/h1-9H.
What are the key properties of 4-(4-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole?
4-(4-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 272.76 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 2806768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).