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

C51H30Cl3N15S3 — CID 158333704

IUPAC4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole;4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESClc1cnc(-c2cccc(-c3sc(-c4cccnc4)nc3Cl)n2)nc1.Clc1nc(-c2cccnc2)sc1-c1cccc(-c2ncccn2)n1.c1cnc(-c2cccc(-c3cnc(-c4cccnc4)s3)n2)nc1
InChIInChI=1S/C17H9Cl2N5S.C17H10ClN5S.C17H11N5S/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;18-15-14(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;1-5-13(22-14(6-1)16-19-8-3-9-20-16)15-11-21-17(23-15)12-4-2-7-18-10-12/h1-9H;1-10H;1-11H
InChIKeyGQIAWKRVHSLXTQ-UHFFFAOYSA-N
MW1055.47 g/mol
LogP13.13
Rot. Bonds9

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

4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole;4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (PubChem CID 158333704) has the molecular formula C51H30Cl3N15S3 and a molecular weight of 1055.47 g/mol. Its IUPAC name is 4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole;4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole;4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
PubChem CID158333704
Molecular FormulaC51H30Cl3N15S3
Molecular Weight1055.47 g/mol
Exact Mass1053.10
IUPAC Name4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole;4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESClc1cnc(-c2cccc(-c3sc(-c4cccnc4)nc3Cl)n2)nc1.Clc1nc(-c2cccnc2)sc1-c1cccc(-c2ncccn2)n1.c1cnc(-c2cccc(-c3cnc(-c4cccnc4)s3)n2)nc1
InChIInChI=1S/C17H9Cl2N5S.C17H10ClN5S.C17H11N5S/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;18-15-14(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;1-5-13(22-14(6-1)16-19-8-3-9-20-16)15-11-21-17(23-15)12-4-2-7-18-10-12/h1-9H;1-10H;1-11H
InChIKeyGQIAWKRVHSLXTQ-UHFFFAOYSA-N
XLogP13.13
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001055.47
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole;4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-Fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
CID 53492740
N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-(2,2-difluoroethyl)ethanimidamide;2-pyridin-3-yl-5-(6-pyrimidin-2-ylpyridin-2-yl)-1,3-thiazole
CID 157303002
2-(4-Fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
CID 174687509
2-[6-(2-Pyridin-3-ylthiazol-5-yl)pyridin-2-yl]pyrimidine
CID 44598572
4-Chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole
CID 54588376
4-Chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
CID 54588377
4-Methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole
CID 58416007
5-[2-(3-Chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 58416088
5-[2-(6-Ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 58416102
2-Pyrimidin-5-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
CID 58416129
5-[2-(6-Chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 58416172
2-{6-[5-(Pyridin-3-yl)-1,3-thiazol-2-yl]pyridin-2-yl}pyrimidine
CID 67517809

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;4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole;4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (CID 158333704) is 4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole;4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-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;4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole;4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is Clc1cnc(-c2cccc(-c3sc(-c4cccnc4)nc3Cl)n2)nc1.Clc1nc(-c2cccnc2)sc1-c1cccc(-c2ncccn2)n1.c1cnc(-c2cccc(-c3cnc(-c4cccnc4)s3)n2)nc1.
What is the InChIKey of 4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole;4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The InChIKey is GQIAWKRVHSLXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N5S.C17H10ClN5S.C17H11N5S/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;18-15-14(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;1-5-13(22-14(6-1)16-19-8-3-9-20-16)15-11-21-17(23-15)12-4-2-7-18-10-12/h1-9H;1-10H;1-11H.
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-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
4-chloro-5-[6-(5-chloropyrimidin-2-yl)-2-pyridinyl]-2-pyridin-3-yl-1,3-thiazole;4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole has a molecular weight of 1055.47 g/mol, XLogP of 13.13, 9 rotatable bonds, 0 hydrogen bond donors, and 18 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;4-chloro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 158333704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).