2-[2-(3-chloro-2-pyridinyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,3-thiazole

C17H10ClN5S — CID 90178330

IUPAC2-[2-(3-chloro-2-pyridinyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,3-thiazole
SMILESClc1cccnc1-c1nc(-c2ncccn2)ccc1-c1nccs1
InChIInChI=1S/C17H10ClN5S/c18-12-3-1-6-19-15(12)14-11(17-22-9-10-24-17)4-5-13(23-14)16-20-7-2-8-21-16/h1-10H
InChIKeyQXIPSSUXUGJXMY-UHFFFAOYSA-N
MW351.82 g/mol
LogP4.38
Rot. Bonds3

About 2-[2-(3-chloro-2-pyridinyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,3-thiazole

2-[2-(3-chloro-2-pyridinyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,3-thiazole (PubChem CID 90178330) has the molecular formula C17H10ClN5S and a molecular weight of 351.82 g/mol. Its IUPAC name is 2-[2-(3-chloro-2-pyridinyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(3-chloro-2-pyridinyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,3-thiazole
PubChem CID90178330
Molecular FormulaC17H10ClN5S
Molecular Weight351.82 g/mol
Exact Mass351.03
IUPAC Name2-[2-(3-chloro-2-pyridinyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,3-thiazole
SMILESClc1cccnc1-c1nc(-c2ncccn2)ccc1-c1nccs1
InChIInChI=1S/C17H10ClN5S/c18-12-3-1-6-19-15(12)14-11(17-22-9-10-24-17)4-5-13(23-14)16-20-7-2-8-21-16/h1-10H
InChIKeyQXIPSSUXUGJXMY-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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Related Compounds

2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]-6-(Thiophen-3-Yl)pyrimidine-2,4-Diamine
CID 124220259
4-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylpyrido[1,2]thieno[3,4-d]pyrimidin-9-amine
CID 1069463
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(4-pyridin-2-ylbutyl)pyrimidin-4-amine
CID 127042169
5-(6-(2-Chloro-4-fluorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-propylthiazol-2-amine
CID 52941393
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)thiazol-2-amine
CID 52941436
5-(2-(2-Chlorophenyl)pyrimidin-4-yl)-n-isopropylthiazol-2-amine
CID 52942573
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-isopropylthiazol-2-amine
CID 52942728
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-ethylthiazol-2-amine
CID 52943899
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-cyclobutylthiazol-2-amine
CID 52943906
(S)-N-sec-butyl-5-(6-(2-chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)thiazol-2-amine
CID 52946367
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-propylthiazol-2-amine
CID 52947439

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-2-pyridinyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[2-(3-chloro-2-pyridinyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,3-thiazole (CID 90178330) is 2-[2-(3-chloro-2-pyridinyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(3-chloro-2-pyridinyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(3-chloro-2-pyridinyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,3-thiazole is Clc1cccnc1-c1nc(-c2ncccn2)ccc1-c1nccs1.
What is the InChIKey of 2-[2-(3-chloro-2-pyridinyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,3-thiazole?
The InChIKey is QXIPSSUXUGJXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN5S/c18-12-3-1-6-19-15(12)14-11(17-22-9-10-24-17)4-5-13(23-14)16-20-7-2-8-21-16/h1-10H.
What are the key properties of 2-[2-(3-chloro-2-pyridinyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,3-thiazole?
2-[2-(3-chloro-2-pyridinyl)-6-pyrimidin-2-yl-3-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 2-[2-(3-chloro-2-pyridinyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 90178330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).