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

C16H13BrN2S2 — CID 122183916

IUPAC4-(4-bromophenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESCSc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C16H13BrN2S2/c1-20-14-4-2-3-13(9-14)18-16-19-15(10-21-16)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,18,19)
InChIKeyLUYBWWXRRUUDIH-UHFFFAOYSA-N
MW377.33 g/mol
LogP6.04
Rot. Bonds4

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

4-(4-bromophenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine (PubChem CID 122183916) has the molecular formula C16H13BrN2S2 and a molecular weight of 377.33 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
PubChem CID122183916
Molecular FormulaC16H13BrN2S2
Molecular Weight377.33 g/mol
Exact Mass375.97
IUPAC Name4-(4-bromophenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESCSc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C16H13BrN2S2/c1-20-14-4-2-3-13(9-14)18-16-19-15(10-21-16)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,18,19)
InChIKeyLUYBWWXRRUUDIH-UHFFFAOYSA-N
XLogP6.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.33
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine (CID 122183916) is 4-(4-bromophenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine is CSc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1.
What is the InChIKey of 4-(4-bromophenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The InChIKey is LUYBWWXRRUUDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2S2/c1-20-14-4-2-3-13(9-14)18-16-19-15(10-21-16)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,18,19).
What are the key properties of 4-(4-bromophenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine has a molecular weight of 377.33 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 122183916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).