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

C12H14BrN3S — CID 79772146

IUPAC5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1ccc(Br)cc1)Cc1cnc(N)s1
InChIInChI=1S/C12H14BrN3S/c1-16(8-11-6-15-12(14)17-11)7-9-2-4-10(13)5-3-9/h2-6H,7-8H2,1H3,(H2,14,15)
InChIKeyDAZHSCHRTNKITE-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.12
Rot. Bonds4

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

5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 79772146) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID79772146
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1ccc(Br)cc1)Cc1cnc(N)s1
InChIInChI=1S/C12H14BrN3S/c1-16(8-11-6-15-12(14)17-11)7-9-2-4-10(13)5-3-9/h2-6H,7-8H2,1H3,(H2,14,15)
InChIKeyDAZHSCHRTNKITE-UHFFFAOYSA-N
XLogP3.12
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine (CID 79772146) is 5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine is CN(Cc1ccc(Br)cc1)Cc1cnc(N)s1.
What is the InChIKey of 5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is DAZHSCHRTNKITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-16(8-11-6-15-12(14)17-11)7-9-2-4-10(13)5-3-9/h2-6H,7-8H2,1H3,(H2,14,15).
What are the key properties of 5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine?
5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 312.24 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79772146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).