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

C17H23N3O2S — CID 111471196

IUPACN-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
SMILESCc1ccc2nc(CSCC(=O)NCC3CCCC3O)cn2c1
InChIInChI=1S/C17H23N3O2S/c1-12-5-6-16-19-14(9-20(16)8-12)10-23-11-17(22)18-7-13-3-2-4-15(13)21/h5-6,8-9,13,15,21H,2-4,7,10-11H2,1H3,(H,18,22)
InChIKeyCJUPRNWTRZRWEF-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.15
Rot. Bonds6

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

N-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide (PubChem CID 111471196) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
PubChem CID111471196
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
SMILESCc1ccc2nc(CSCC(=O)NCC3CCCC3O)cn2c1
InChIInChI=1S/C17H23N3O2S/c1-12-5-6-16-19-14(9-20(16)8-12)10-23-11-17(22)18-7-13-3-2-4-15(13)21/h5-6,8-9,13,15,21H,2-4,7,10-11H2,1H3,(H,18,22)
InChIKeyCJUPRNWTRZRWEF-UHFFFAOYSA-N
XLogP2.15
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide (CID 111471196) is N-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide is Cc1ccc2nc(CSCC(=O)NCC3CCCC3O)cn2c1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The InChIKey is CJUPRNWTRZRWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-5-6-16-19-14(9-20(16)8-12)10-23-11-17(22)18-7-13-3-2-4-15(13)21/h5-6,8-9,13,15,21H,2-4,7,10-11H2,1H3,(H,18,22).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
N-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide has a molecular weight of 333.46 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 111471196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).