4-(4-bromophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine

C16H13BrN2S — CID 680794

IUPAC4-(4-bromophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C16H13BrN2S/c1-11-3-2-4-14(9-11)18-16-19-15(10-20-16)12-5-7-13(17)8-6-12/h2-10H,1H3,(H,18,19)
InChIKeyGWOKNCATBSOWGP-UHFFFAOYSA-N
MW345.27 g/mol
LogP5.62
Rot. Bonds3

About 4-(4-bromophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine

4-(4-bromophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 680794) has the molecular formula C16H13BrN2S and a molecular weight of 345.27 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
PubChem CID680794
Molecular FormulaC16H13BrN2S
Molecular Weight345.27 g/mol
Exact Mass344.00
IUPAC Name4-(4-bromophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C16H13BrN2S/c1-11-3-2-4-14(9-11)18-16-19-15(10-20-16)12-5-7-13(17)8-6-12/h2-10H,1H3,(H,18,19)
InChIKeyGWOKNCATBSOWGP-UHFFFAOYSA-N
XLogP5.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.27
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine (CID 680794) is 4-(4-bromophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1.
What is the InChIKey of 4-(4-bromophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is GWOKNCATBSOWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2S/c1-11-3-2-4-14(9-11)18-16-19-15(10-20-16)12-5-7-13(17)8-6-12/h2-10H,1H3,(H,18,19).
What are the key properties of 4-(4-bromophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 345.27 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 680794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).