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

C17H16BrClN2S — CID 2852359

IUPAC4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide
SMILESBr.CCCc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)ccn1
InChIInChI=1S/C17H15ClN2S.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
InChIKeyGIJWAZLJXHCDKU-UHFFFAOYSA-N
MW395.75 g/mol
LogP6.06
Rot. Bonds4

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

4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide (PubChem CID 2852359) has the molecular formula C17H16BrClN2S and a molecular weight of 395.75 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide
PubChem CID2852359
Molecular FormulaC17H16BrClN2S
Molecular Weight395.75 g/mol
Exact Mass393.99
IUPAC Name4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide
SMILESBr.CCCc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)ccn1
InChIInChI=1S/C17H15ClN2S.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
InChIKeyGIJWAZLJXHCDKU-UHFFFAOYSA-N
XLogP6.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.75
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide?
The IUPAC name of 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide (CID 2852359) is 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide is Br.CCCc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)ccn1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide?
The InChIKey is GIJWAZLJXHCDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S.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-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide?
4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide has a molecular weight of 395.75 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide is sourced from PubChem (CID 2852359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).