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

C15H22N4OS — CID 71929120

IUPACN-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
SMILESCOCc1nc(CNCC2CCCn3cc(C)nc32)cs1
InChIInChI=1S/C15H22N4OS/c1-11-8-19-5-3-4-12(15(19)17-11)6-16-7-13-10-21-14(18-13)9-20-2/h8,10,12,16H,3-7,9H2,1-2H3
InChIKeyVUYJEZCGOHLDEB-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.46
Rot. Bonds6

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

N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine (PubChem CID 71929120) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
PubChem CID71929120
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
SMILESCOCc1nc(CNCC2CCCn3cc(C)nc32)cs1
InChIInChI=1S/C15H22N4OS/c1-11-8-19-5-3-4-12(15(19)17-11)6-16-7-13-10-21-14(18-13)9-20-2/h8,10,12,16H,3-7,9H2,1-2H3
InChIKeyVUYJEZCGOHLDEB-UHFFFAOYSA-N
XLogP2.46
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The IUPAC name of N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine (CID 71929120) is N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine.
What is the SMILES notation for N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The canonical SMILES for N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine is COCc1nc(CNCC2CCCn3cc(C)nc32)cs1.
What is the InChIKey of N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The InChIKey is VUYJEZCGOHLDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-11-8-19-5-3-4-12(15(19)17-11)6-16-7-13-10-21-14(18-13)9-20-2/h8,10,12,16H,3-7,9H2,1-2H3.
What are the key properties of N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine has a molecular weight of 306.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine is sourced from PubChem (CID 71929120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).