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

C10H9BrN2S — CID 824438

IUPAC4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C10H9BrN2S/c1-12-10-13-9(6-14-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)
InChIKeyQPDOUKOEOIYXOU-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.61
Rot. Bonds2

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

4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 824438) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID824438
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC Name4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C10H9BrN2S/c1-12-10-13-9(6-14-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)
InChIKeyQPDOUKOEOIYXOU-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.61
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-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-amine (CID 824438) is 4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is QPDOUKOEOIYXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S/c1-12-10-13-9(6-14-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13).
What are the key properties of 4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 269.17 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 824438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).