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

C17H15BrN2S — CID 1130426

IUPAC4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccc(Br)cc3)cs2)ccn1
InChIInChI=1S/C17H15BrN2S/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
InChIKeyVJLPOVIHSNLTQX-UHFFFAOYSA-N
MW359.29 g/mol
LogP5.59
Rot. Bonds4

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

4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole (PubChem CID 1130426) has the molecular formula C17H15BrN2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
PubChem CID1130426
Molecular FormulaC17H15BrN2S
Molecular Weight359.29 g/mol
Exact Mass358.01
IUPAC Name4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccc(Br)cc3)cs2)ccn1
InChIInChI=1S/C17H15BrN2S/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
InChIKeyVJLPOVIHSNLTQX-UHFFFAOYSA-N
XLogP5.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.29
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole (CID 1130426) is 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole is CCCc1cc(-c2nc(-c3ccc(Br)cc3)cs2)ccn1.
What is the InChIKey of 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is VJLPOVIHSNLTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2S/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.
What are the key properties of 4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
4-(4-bromophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 359.29 g/mol, XLogP of 5.59, 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 is sourced from PubChem (CID 1130426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).