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

C18H19BrN2S — CID 2850562

IUPAC4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide
SMILESBr.CCCc1cc(-c2nc(-c3ccc(C)cc3)cs2)ccn1
InChIInChI=1S/C18H18N2S.BrH/c1-3-4-16-11-15(9-10-19-16)18-20-17(12-21-18)14-7-5-13(2)6-8-14;/h5-12H,3-4H2,1-2H3;1H
InChIKeyRJCFNQZVFUMORB-UHFFFAOYSA-N
MW375.34 g/mol
LogP5.71
Rot. Bonds4

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

4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide (PubChem CID 2850562) has the molecular formula C18H19BrN2S and a molecular weight of 375.34 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide
PubChem CID2850562
Molecular FormulaC18H19BrN2S
Molecular Weight375.34 g/mol
Exact Mass374.05
IUPAC Name4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide
SMILESBr.CCCc1cc(-c2nc(-c3ccc(C)cc3)cs2)ccn1
InChIInChI=1S/C18H18N2S.BrH/c1-3-4-16-11-15(9-10-19-16)18-20-17(12-21-18)14-7-5-13(2)6-8-14;/h5-12H,3-4H2,1-2H3;1H
InChIKeyRJCFNQZVFUMORB-UHFFFAOYSA-N
XLogP5.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.34
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide
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CID 701015
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2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
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2-Methyl-4-(3-pyridyl)thiazole
CID 600616
4-(4-Chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
CID 2806768

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide?
The IUPAC name of 4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide (CID 2850562) is 4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide.
What is the SMILES notation for 4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide?
The canonical SMILES for 4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide is Br.CCCc1cc(-c2nc(-c3ccc(C)cc3)cs2)ccn1.
What is the InChIKey of 4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide?
The InChIKey is RJCFNQZVFUMORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S.BrH/c1-3-4-16-11-15(9-10-19-16)18-20-17(12-21-18)14-7-5-13(2)6-8-14;/h5-12H,3-4H2,1-2H3;1H.
What are the key properties of 4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide?
4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide has a molecular weight of 375.34 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide is sourced from PubChem (CID 2850562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).