3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine

C14H20N4S — CID 66444646

IUPAC3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine
SMILESCCCn1c(CC2CSCCN2)nc2cnccc21
InChIInChI=1S/C14H20N4S/c1-2-6-18-13-3-4-15-9-12(13)17-14(18)8-11-10-19-7-5-16-11/h3-4,9,11,16H,2,5-8,10H2,1H3
InChIKeyQMHWEINPJICPPK-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.09
Rot. Bonds4

About 3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine

3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine (PubChem CID 66444646) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine
PubChem CID66444646
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine
SMILESCCCn1c(CC2CSCCN2)nc2cnccc21
InChIInChI=1S/C14H20N4S/c1-2-6-18-13-3-4-15-9-12(13)17-14(18)8-11-10-19-7-5-16-11/h3-4,9,11,16H,2,5-8,10H2,1H3
InChIKeyQMHWEINPJICPPK-UHFFFAOYSA-N
XLogP2.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine?
The IUPAC name of 3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine (CID 66444646) is 3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine.
What is the SMILES notation for 3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine?
The canonical SMILES for 3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine is CCCn1c(CC2CSCCN2)nc2cnccc21.
What is the InChIKey of 3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine?
The InChIKey is QMHWEINPJICPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-2-6-18-13-3-4-15-9-12(13)17-14(18)8-11-10-19-7-5-16-11/h3-4,9,11,16H,2,5-8,10H2,1H3.
What are the key properties of 3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine?
3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine has a molecular weight of 276.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine is sourced from PubChem (CID 66444646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).