N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine

C15H19BrN2S — CID 62830555

IUPACN-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(Cc2ccccc2Br)sc1CNC(C)C
InChIInChI=1S/C15H19BrN2S/c1-10(2)17-9-14-11(3)18-15(19-14)8-12-6-4-5-7-13(12)16/h4-7,10,17H,8-9H2,1-3H3
InChIKeyKTMVFOKGIOBXJE-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.30
Rot. Bonds5

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

N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62830555) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62830555
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC NameN-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(Cc2ccccc2Br)sc1CNC(C)C
InChIInChI=1S/C15H19BrN2S/c1-10(2)17-9-14-11(3)18-15(19-14)8-12-6-4-5-7-13(12)16/h4-7,10,17H,8-9H2,1-3H3
InChIKeyKTMVFOKGIOBXJE-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62830555) is N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(Cc2ccccc2Br)sc1CNC(C)C.
What is the InChIKey of N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is KTMVFOKGIOBXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-10(2)17-9-14-11(3)18-15(19-14)8-12-6-4-5-7-13(12)16/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 339.30 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62830555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).