1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine

C15H21N3S — CID 71929153

IUPAC1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
SMILESCc1cn2c(n1)C(CNCc1ccc(C)s1)CCC2
InChIInChI=1S/C15H21N3S/c1-11-10-18-7-3-4-13(15(18)17-11)8-16-9-14-6-5-12(2)19-14/h5-6,10,13,16H,3-4,7-9H2,1-2H3
InChIKeyFGCCRQWBYGWBDJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.23
Rot. Bonds4

About 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine

1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine (PubChem CID 71929153) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
PubChem CID71929153
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
SMILESCc1cn2c(n1)C(CNCc1ccc(C)s1)CCC2
InChIInChI=1S/C15H21N3S/c1-11-10-18-7-3-4-13(15(18)17-11)8-16-9-14-6-5-12(2)19-14/h5-6,10,13,16H,3-4,7-9H2,1-2H3
InChIKeyFGCCRQWBYGWBDJ-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine (CID 71929153) is 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine is Cc1cn2c(n1)C(CNCc1ccc(C)s1)CCC2.
What is the InChIKey of 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is FGCCRQWBYGWBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-10-18-7-3-4-13(15(18)17-11)8-16-9-14-6-5-12(2)19-14/h5-6,10,13,16H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 275.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 71929153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).