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

C13H23N3S — CID 55247868

IUPACN-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCCC(C)CC2)s1
InChIInChI=1S/C13H23N3S/c1-3-14-9-12-10-15-13(17-12)16-7-4-5-11(2)6-8-16/h10-11,14H,3-9H2,1-2H3
InChIKeyOMMWJESSOMDUSY-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.88
Rot. Bonds4

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

N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 55247868) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID55247868
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCCC(C)CC2)s1
InChIInChI=1S/C13H23N3S/c1-3-14-9-12-10-15-13(17-12)16-7-4-5-11(2)6-8-16/h10-11,14H,3-9H2,1-2H3
InChIKeyOMMWJESSOMDUSY-UHFFFAOYSA-N
XLogP2.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 55247868) is N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(N2CCCC(C)CC2)s1.
What is the InChIKey of N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is OMMWJESSOMDUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-14-9-12-10-15-13(17-12)16-7-4-5-11(2)6-8-16/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 55247868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).