4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole

C17H9Cl2N5S — CID 54588376

IUPAC4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole
SMILESClc1cnc(-c2cccc(-c3sc(-c4cccnc4)nc3Cl)n2)nc1
InChIInChI=1S/C17H9Cl2N5S/c18-11-8-21-16(22-9-11)13-5-1-4-12(23-13)14-15(19)24-17(25-14)10-3-2-6-20-7-10/h1-9H
InChIKeyJXHHAOFHIGNRBU-UHFFFAOYSA-N
MW386.27 g/mol
LogP5.03
Rot. Bonds3

About 4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole

4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole (PubChem CID 54588376) has the molecular formula C17H9Cl2N5S and a molecular weight of 386.27 g/mol. Its IUPAC name is 4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole
PubChem CID54588376
Molecular FormulaC17H9Cl2N5S
Molecular Weight386.27 g/mol
Exact Mass385.00
IUPAC Name4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole
SMILESClc1cnc(-c2cccc(-c3sc(-c4cccnc4)nc3Cl)n2)nc1
InChIInChI=1S/C17H9Cl2N5S/c18-11-8-21-16(22-9-11)13-5-1-4-12(23-13)14-15(19)24-17(25-14)10-3-2-6-20-7-10/h1-9H
InChIKeyJXHHAOFHIGNRBU-UHFFFAOYSA-N
XLogP5.03
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.27
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole (CID 54588376) is 4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole is Clc1cnc(-c2cccc(-c3sc(-c4cccnc4)nc3Cl)n2)nc1.
What is the InChIKey of 4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is JXHHAOFHIGNRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N5S/c18-11-8-21-16(22-9-11)13-5-1-4-12(23-13)14-15(19)24-17(25-14)10-3-2-6-20-7-10/h1-9H.
What are the key properties of 4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole?
4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 386.27 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 54588376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).