4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-amine

C10H9BrN2S — CID 79839176

IUPAC4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1cccc(Br)c1
InChIInChI=1S/C10H9BrN2S/c1-6-9(13-10(12)14-6)7-3-2-4-8(11)5-7/h2-5H,1H3,(H2,12,13)
InChIKeyAUUUBDPUHHIEGL-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.46
Rot. Bonds1

About 4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-amine

4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 79839176) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID79839176
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC Name4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1cccc(Br)c1
InChIInChI=1S/C10H9BrN2S/c1-6-9(13-10(12)14-6)7-3-2-4-8(11)5-7/h2-5H,1H3,(H2,12,13)
InChIKeyAUUUBDPUHHIEGL-UHFFFAOYSA-N
XLogP3.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-amine (CID 79839176) is 4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-amine is Cc1sc(N)nc1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is AUUUBDPUHHIEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S/c1-6-9(13-10(12)14-6)7-3-2-4-8(11)5-7/h2-5H,1H3,(H2,12,13).
What are the key properties of 4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-amine?
4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 269.17 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79839176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).