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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Related Compounds

2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine
CID 66443080
4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
CID 115339636
5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 61372509
3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
CID 66445041
3-[(4-ethylphenyl)methyl]thiomorpholine
CID 82286776
2-[(1-ethylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine
CID 66434957
3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 80515131
3-(4-methyl-3-pyridinyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 114877020
1-propyl-2-[(2-pyrazin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine
CID 22380121
2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62218069
2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine
CID 66434955
3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine
CID 66442912

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).