4-(1-chloroisoquinolin-3-yl)-2-pyridin-4-yl-1,3-thiazole

C17H10ClN3S — CID 154585880

IUPAC4-(1-chloroisoquinolin-3-yl)-2-pyridin-4-yl-1,3-thiazole
SMILESClc1nc(-c2csc(-c3ccncc3)n2)cc2ccccc12
InChIInChI=1S/C17H10ClN3S/c18-16-13-4-2-1-3-12(13)9-14(20-16)15-10-22-17(21-15)11-5-7-19-8-6-11/h1-10H
InChIKeyOBQQDZFVZLTXCP-UHFFFAOYSA-N
MW323.81 g/mol
LogP5.07
Rot. Bonds2

About 4-(1-chloroisoquinolin-3-yl)-2-pyridin-4-yl-1,3-thiazole

4-(1-chloroisoquinolin-3-yl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 154585880) has the molecular formula C17H10ClN3S and a molecular weight of 323.81 g/mol. Its IUPAC name is 4-(1-chloroisoquinolin-3-yl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(1-chloroisoquinolin-3-yl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID154585880
Molecular FormulaC17H10ClN3S
Molecular Weight323.81 g/mol
Exact Mass323.03
IUPAC Name4-(1-chloroisoquinolin-3-yl)-2-pyridin-4-yl-1,3-thiazole
SMILESClc1nc(-c2csc(-c3ccncc3)n2)cc2ccccc12
InChIInChI=1S/C17H10ClN3S/c18-16-13-4-2-1-3-12(13)9-14(20-16)15-10-22-17(21-15)11-5-7-19-8-6-11/h1-10H
InChIKeyOBQQDZFVZLTXCP-UHFFFAOYSA-N
XLogP5.07
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.81
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(4-Chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
CID 2806768
4-[2-[5-(3-Chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
CID 16663206
5-(2-Methyl-thiazol-4-ylethynyl)-[3,3'''']bipyridinyl
CID 44392969
7-chloro-N-[(4-phenylthiazol-2-yl)methyl]quinolin-4-amine
CID 71458169
5-(2-Chloro-4-pyridyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole
CID 11674063
5-(2-Methyl-thiazol-4-ylethynyl)-[2,4'''']bipyridinyl
CID 44392972
5-(2-Methyl-thiazol-4-ylethynyl)-[3,4'''']bipyridinyl
CID 44392986
2-(1,3-Thiazol-2-yl)quinoline
CID 1473004
3-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]pyridine
CID 731349
2-(2-Methylphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
CID 16662869
4-[2-[6-(2-Chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
CID 16662871
2-(4-Phenyl-2-thiazolyl)pyridine
CID 16832293

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroisoquinolin-3-yl)-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-(1-chloroisoquinolin-3-yl)-2-pyridin-4-yl-1,3-thiazole (CID 154585880) is 4-(1-chloroisoquinolin-3-yl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(1-chloroisoquinolin-3-yl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(1-chloroisoquinolin-3-yl)-2-pyridin-4-yl-1,3-thiazole is Clc1nc(-c2csc(-c3ccncc3)n2)cc2ccccc12.
What is the InChIKey of 4-(1-chloroisoquinolin-3-yl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is OBQQDZFVZLTXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3S/c18-16-13-4-2-1-3-12(13)9-14(20-16)15-10-22-17(21-15)11-5-7-19-8-6-11/h1-10H.
What are the key properties of 4-(1-chloroisoquinolin-3-yl)-2-pyridin-4-yl-1,3-thiazole?
4-(1-chloroisoquinolin-3-yl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 323.81 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroisoquinolin-3-yl)-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 154585880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).