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

C14H20N4S — CID 61419254

IUPACN-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCNCc1c(N2CCCSCC2)nc2ccccn12
InChIInChI=1S/C14H20N4S/c1-15-11-12-14(17-6-4-9-19-10-8-17)16-13-5-2-3-7-18(12)13/h2-3,5,7,15H,4,6,8-11H2,1H3
InChIKeyAEICEWCLOZLRPS-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.00
Rot. Bonds3

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

N-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 61419254) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID61419254
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCNCc1c(N2CCCSCC2)nc2ccccn12
InChIInChI=1S/C14H20N4S/c1-15-11-12-14(17-6-4-9-19-10-8-17)16-13-5-2-3-7-18(12)13/h2-3,5,7,15H,4,6,8-11H2,1H3
InChIKeyAEICEWCLOZLRPS-UHFFFAOYSA-N
XLogP2.00
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine (CID 61419254) is N-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine is CNCc1c(N2CCCSCC2)nc2ccccn12.
What is the InChIKey of N-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is AEICEWCLOZLRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-15-11-12-14(17-6-4-9-19-10-8-17)16-13-5-2-3-7-18(12)13/h2-3,5,7,15H,4,6,8-11H2,1H3.
What are the key properties of N-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine?
N-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 276.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 61419254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).