N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide

C15H22N4OS — CID 120827427

IUPACN-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
SMILESCNC(C)CNC(=O)CSCc1cn2cc(C)ccc2n1
InChIInChI=1S/C15H22N4OS/c1-11-4-5-14-18-13(8-19(14)7-11)9-21-10-15(20)17-6-12(2)16-3/h4-5,7-8,12,16H,6,9-10H2,1-3H3,(H,17,20)
InChIKeyLDOQBWKXCISTDJ-UHFFFAOYSA-N
MW306.44 g/mol
LogP1.60
Rot. Bonds7

About N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide

N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide (PubChem CID 120827427) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
PubChem CID120827427
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
SMILESCNC(C)CNC(=O)CSCc1cn2cc(C)ccc2n1
InChIInChI=1S/C15H22N4OS/c1-11-4-5-14-18-13(8-19(14)7-11)9-21-10-15(20)17-6-12(2)16-3/h4-5,7-8,12,16H,6,9-10H2,1-3H3,(H,17,20)
InChIKeyLDOQBWKXCISTDJ-UHFFFAOYSA-N
XLogP1.60
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide (CID 120827427) is N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide is CNC(C)CNC(=O)CSCc1cn2cc(C)ccc2n1.
What is the InChIKey of N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The InChIKey is LDOQBWKXCISTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-11-4-5-14-18-13(8-19(14)7-11)9-21-10-15(20)17-6-12(2)16-3/h4-5,7-8,12,16H,6,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide has a molecular weight of 306.44 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 120827427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).