1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

C14H18ClN3S — CID 80528815

IUPAC1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCC1(CNCc2cn3cc(Cl)ccc3n2)CCCS1
InChIInChI=1S/C14H18ClN3S/c1-14(5-2-6-19-14)10-16-7-12-9-18-8-11(15)3-4-13(18)17-12/h3-4,8-9,16H,2,5-7,10H2,1H3
InChIKeyNXCOZZMZNPOBBM-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.36
Rot. Bonds4

About 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (PubChem CID 80528815) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
PubChem CID80528815
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCC1(CNCc2cn3cc(Cl)ccc3n2)CCCS1
InChIInChI=1S/C14H18ClN3S/c1-14(5-2-6-19-14)10-16-7-12-9-18-8-11(15)3-4-13(18)17-12/h3-4,8-9,16H,2,5-7,10H2,1H3
InChIKeyNXCOZZMZNPOBBM-UHFFFAOYSA-N
XLogP3.36
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The IUPAC name of 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (CID 80528815) is 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is CC1(CNCc2cn3cc(Cl)ccc3n2)CCCS1.
What is the InChIKey of 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The InChIKey is NXCOZZMZNPOBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-14(5-2-6-19-14)10-16-7-12-9-18-8-11(15)3-4-13(18)17-12/h3-4,8-9,16H,2,5-7,10H2,1H3.
What are the key properties of 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine has a molecular weight of 295.84 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is sourced from PubChem (CID 80528815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).