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

C15H27N3S — CID 63625266

IUPAC2-methyl-N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(N2CCCC(C)CC2)s1
InChIInChI=1S/C15H27N3S/c1-12(2)9-16-10-14-11-17-15(19-14)18-7-4-5-13(3)6-8-18/h11-13,16H,4-10H2,1-3H3
InChIKeyBPMPHAGVCAJSLU-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.52
Rot. Bonds5

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

2-methyl-N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 63625266) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID63625266
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2-methyl-N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(N2CCCC(C)CC2)s1
InChIInChI=1S/C15H27N3S/c1-12(2)9-16-10-14-11-17-15(19-14)18-7-4-5-13(3)6-8-18/h11-13,16H,4-10H2,1-3H3
InChIKeyBPMPHAGVCAJSLU-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 63625266) is 2-methyl-N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CC(C)CNCc1cnc(N2CCCC(C)CC2)s1.
What is the InChIKey of 2-methyl-N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is BPMPHAGVCAJSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-12(2)9-16-10-14-11-17-15(19-14)18-7-4-5-13(3)6-8-18/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 63625266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).