4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide

C17H16Br2N2S — CID 2849620

IUPAC4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide
SMILESBr.CCCc1cc(-c2nc(-c3ccc(Br)cc3)cs2)ccn1
InChIInChI=1S/C17H15BrN2S.BrH/c1-2-3-15-10-13(8-9-19-15)17-20-16(11-21-17)12-4-6-14(18)7-5-12;/h4-11H,2-3H2,1H3;1H
InChIKeyPUNNXDADVVAQPS-UHFFFAOYSA-N
MW440.20 g/mol
LogP6.16
Rot. Bonds4

About 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide

4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide (PubChem CID 2849620) has the molecular formula C17H16Br2N2S and a molecular weight of 440.20 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide
PubChem CID2849620
Molecular FormulaC17H16Br2N2S
Molecular Weight440.20 g/mol
Exact Mass437.94
IUPAC Name4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide
SMILESBr.CCCc1cc(-c2nc(-c3ccc(Br)cc3)cs2)ccn1
InChIInChI=1S/C17H15BrN2S.BrH/c1-2-3-15-10-13(8-9-19-15)17-20-16(11-21-17)12-4-6-14(18)7-5-12;/h4-11H,2-3H2,1H3;1H
InChIKeyPUNNXDADVVAQPS-UHFFFAOYSA-N
XLogP6.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.20
LogP ≤ 56.16
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-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
3-Bromo-5-[(2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11701860
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
2,4-Di(pyridin-3-yl)thiazole
CID 2725997

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide?
The IUPAC name of 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide (CID 2849620) is 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide.
What is the SMILES notation for 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide?
The canonical SMILES for 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide is Br.CCCc1cc(-c2nc(-c3ccc(Br)cc3)cs2)ccn1.
What is the InChIKey of 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide?
The InChIKey is PUNNXDADVVAQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2S.BrH/c1-2-3-15-10-13(8-9-19-15)17-20-16(11-21-17)12-4-6-14(18)7-5-12;/h4-11H,2-3H2,1H3;1H.
What are the key properties of 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide?
4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide has a molecular weight of 440.20 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide is sourced from PubChem (CID 2849620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).