N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine

C15H22N4S — CID 97073272

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
SMILESCc1cn2c(n1)[C@@H](CNCc1sc(C)nc1C)CCC2
InChIInChI=1S/C15H22N4S/c1-10-9-19-6-4-5-13(15(19)17-10)7-16-8-14-11(2)18-12(3)20-14/h9,13,16H,4-8H2,1-3H3/t13-/m1/s1
InChIKeyXJNWCYRHKBHEKL-CYBMUJFWSA-N
MW290.44 g/mol
LogP2.93
Rot. Bonds4

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine (PubChem CID 97073272) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
PubChem CID97073272
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
SMILESCc1cn2c(n1)[C@@H](CNCc1sc(C)nc1C)CCC2
InChIInChI=1S/C15H22N4S/c1-10-9-19-6-4-5-13(15(19)17-10)7-16-8-14-11(2)18-12(3)20-14/h9,13,16H,4-8H2,1-3H3/t13-/m1/s1
InChIKeyXJNWCYRHKBHEKL-CYBMUJFWSA-N
XLogP2.93
TPSA42.74 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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine (CID 97073272) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine is Cc1cn2c(n1)[C@@H](CNCc1sc(C)nc1C)CCC2.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The InChIKey is XJNWCYRHKBHEKL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N4S/c1-10-9-19-6-4-5-13(15(19)17-10)7-16-8-14-11(2)18-12(3)20-14/h9,13,16H,4-8H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine has a molecular weight of 290.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine is sourced from PubChem (CID 97073272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).