4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole;hydrobromide

C14H10BrClN2S — CID 2806770

IUPAC4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole;hydrobromide
SMILESBr.Clc1ccc(-c2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C14H9ClN2S.BrH/c15-12-5-3-10(4-6-12)13-9-18-14(17-13)11-2-1-7-16-8-11;/h1-9H;1H
InChIKeyHCNIECQKQUJOSC-UHFFFAOYSA-N
MW353.67 g/mol
LogP5.10
Rot. Bonds2

About 4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole;hydrobromide

4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole;hydrobromide (PubChem CID 2806770) has the molecular formula C14H10BrClN2S and a molecular weight of 353.67 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole;hydrobromide
PubChem CID2806770
Molecular FormulaC14H10BrClN2S
Molecular Weight353.67 g/mol
Exact Mass351.94
IUPAC Name4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole;hydrobromide
SMILESBr.Clc1ccc(-c2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C14H9ClN2S.BrH/c15-12-5-3-10(4-6-12)13-9-18-14(17-13)11-2-1-7-16-8-11;/h1-9H;1H
InChIKeyHCNIECQKQUJOSC-UHFFFAOYSA-N
XLogP5.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.67
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fatostatin
CID 1889993
4-Phenyl-2-(4-pyridyl)thiazole
CID 738483
3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
CID 44392990
2-Methyl-4-(3-pyridyl)thiazole
CID 600616
4-(4-Chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
CID 2806768
4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
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
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]pyridine
CID 57384102
4-(3,4-Difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole;hydrobromide?
The IUPAC name of 4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole;hydrobromide (CID 2806770) is 4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole;hydrobromide.
What is the SMILES notation for 4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole;hydrobromide?
The canonical SMILES for 4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole;hydrobromide is Br.Clc1ccc(-c2csc(-c3cccnc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole;hydrobromide?
The InChIKey is HCNIECQKQUJOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2S.BrH/c15-12-5-3-10(4-6-12)13-9-18-14(17-13)11-2-1-7-16-8-11;/h1-9H;1H.
What are the key properties of 4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole;hydrobromide?
4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole;hydrobromide has a molecular weight of 353.67 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole;hydrobromide is sourced from PubChem (CID 2806770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).