N-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine

C15H22N4S — CID 61419303

IUPACN-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1c(N2CCCSCC2)nc2ccccn12
InChIInChI=1S/C15H22N4S/c1-2-16-12-13-15(18-7-5-10-20-11-9-18)17-14-6-3-4-8-19(13)14/h3-4,6,8,16H,2,5,7,9-12H2,1H3
InChIKeyHGOHQDTYVZTTQH-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.39
Rot. Bonds4

About N-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine

N-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine (PubChem CID 61419303) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
PubChem CID61419303
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1c(N2CCCSCC2)nc2ccccn12
InChIInChI=1S/C15H22N4S/c1-2-16-12-13-15(18-7-5-10-20-11-9-18)17-14-6-3-4-8-19(13)14/h3-4,6,8,16H,2,5,7,9-12H2,1H3
InChIKeyHGOHQDTYVZTTQH-UHFFFAOYSA-N
XLogP2.39
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine (CID 61419303) is N-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine is CCNCc1c(N2CCCSCC2)nc2ccccn12.
What is the InChIKey of N-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine?
The InChIKey is HGOHQDTYVZTTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-2-16-12-13-15(18-7-5-10-20-11-9-18)17-14-6-3-4-8-19(13)14/h3-4,6,8,16H,2,5,7,9-12H2,1H3.
What are the key properties of N-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine?
N-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine has a molecular weight of 290.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine is sourced from PubChem (CID 61419303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).