4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole

C11H6Cl2N4S — CID 71235469

IUPAC4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESClc1cnn(-c2sc(-c3cccnc3)nc2Cl)c1
InChIInChI=1S/C11H6Cl2N4S/c12-8-5-15-17(6-8)11-9(13)16-10(18-11)7-2-1-3-14-4-7/h1-6H
InChIKeyHDSYNLXKPCOQEJ-UHFFFAOYSA-N
MW297.17 g/mol
LogP3.70
Rot. Bonds2

About 4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole

4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 71235469) has the molecular formula C11H6Cl2N4S and a molecular weight of 297.17 g/mol. Its IUPAC name is 4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID71235469
Molecular FormulaC11H6Cl2N4S
Molecular Weight297.17 g/mol
Exact Mass295.97
IUPAC Name4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESClc1cnn(-c2sc(-c3cccnc3)nc2Cl)c1
InChIInChI=1S/C11H6Cl2N4S/c12-8-5-15-17(6-8)11-9(13)16-10(18-11)7-2-1-3-14-4-7/h1-6H
InChIKeyHDSYNLXKPCOQEJ-UHFFFAOYSA-N
XLogP3.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 131732978
4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide
CID 89394604
5-chloro-2-pyridin-3-yl-1,3-thiazole
CID 117259093
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-2-sulfanylacetamide
CID 89012295
5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline
CID 177329473
2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile
CID 144657133
3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
CID 102393188
6-(4-chlorophenyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 935976
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
CID 89445696
6-(3,5-dichlorophenyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45491583
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)thiophene-3-carboxamide
CID 70833052

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole (CID 71235469) is 4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole is Clc1cnn(-c2sc(-c3cccnc3)nc2Cl)c1.
What is the InChIKey of 4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is HDSYNLXKPCOQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4S/c12-8-5-15-17(6-8)11-9(13)16-10(18-11)7-2-1-3-14-4-7/h1-6H.
What are the key properties of 4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole?
4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 297.17 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 71235469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).