4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole

C18H16BrNS — CID 78907532

IUPAC4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1ccc(-c2nc(-c3cccc(Br)c3)cs2)cc1
InChIInChI=1S/C18H16BrNS/c1-12(2)13-6-8-14(9-7-13)18-20-17(11-21-18)15-4-3-5-16(19)10-15/h3-12H,1-2H3
InChIKeyJTBXROPOTWOLAD-UHFFFAOYSA-N
MW358.30 g/mol
LogP6.36
Rot. Bonds3

About 4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole

4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 78907532) has the molecular formula C18H16BrNS and a molecular weight of 358.30 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
PubChem CID78907532
Molecular FormulaC18H16BrNS
Molecular Weight358.30 g/mol
Exact Mass357.02
IUPAC Name4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1ccc(-c2nc(-c3cccc(Br)c3)cs2)cc1
InChIInChI=1S/C18H16BrNS/c1-12(2)13-6-8-14(9-7-13)18-20-17(11-21-18)15-4-3-5-16(19)10-15/h3-12H,1-2H3
InChIKeyJTBXROPOTWOLAD-UHFFFAOYSA-N
XLogP6.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.30
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole (CID 78907532) is 4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole is CC(C)c1ccc(-c2nc(-c3cccc(Br)c3)cs2)cc1.
What is the InChIKey of 4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is JTBXROPOTWOLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNS/c1-12(2)13-6-8-14(9-7-13)18-20-17(11-21-18)15-4-3-5-16(19)10-15/h3-12H,1-2H3.
What are the key properties of 4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole?
4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 358.30 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 78907532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).