4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole

C17H10ClN5S — CID 54588377

IUPAC4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESClc1nc(-c2cccnc2)sc1-c1cccc(-c2ncccn2)n1
InChIInChI=1S/C17H10ClN5S/c18-15-14(24-17(23-15)11-4-2-7-19-10-11)12-5-1-6-13(22-12)16-20-8-3-9-21-16/h1-10H
InChIKeyFYXZGYHOZCZXBT-UHFFFAOYSA-N
MW351.82 g/mol
LogP4.38
Rot. Bonds3

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

4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (PubChem CID 54588377) has the molecular formula C17H10ClN5S and a molecular weight of 351.82 g/mol. Its IUPAC name is 4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
PubChem CID54588377
Molecular FormulaC17H10ClN5S
Molecular Weight351.82 g/mol
Exact Mass351.03
IUPAC Name4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESClc1nc(-c2cccnc2)sc1-c1cccc(-c2ncccn2)n1
InChIInChI=1S/C17H10ClN5S/c18-15-14(24-17(23-15)11-4-2-7-19-10-11)12-5-1-6-13(22-12)16-20-8-3-9-21-16/h1-10H
InChIKeyFYXZGYHOZCZXBT-UHFFFAOYSA-N
XLogP4.38
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (CID 54588377) is 4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is Clc1nc(-c2cccnc2)sc1-c1cccc(-c2ncccn2)n1.
What is the InChIKey of 4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The InChIKey is FYXZGYHOZCZXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN5S/c18-15-14(24-17(23-15)11-4-2-7-19-10-11)12-5-1-6-13(22-12)16-20-8-3-9-21-16/h1-10H.
What are the key properties of 4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole has a molecular weight of 351.82 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 54588377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).