3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine

C10H15N3S — CID 105463494

IUPAC3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine
SMILESc1nc(C2CSCCN2)[nH]c1C1CC1
InChIInChI=1S/C10H15N3S/c1-2-7(1)8-5-12-10(13-8)9-6-14-4-3-11-9/h5,7,9,11H,1-4,6H2,(H,12,13)
InChIKeyHQDAMEQJJBLZIF-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.66
Rot. Bonds2

About 3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine

3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine (PubChem CID 105463494) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine
PubChem CID105463494
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine
SMILESc1nc(C2CSCCN2)[nH]c1C1CC1
InChIInChI=1S/C10H15N3S/c1-2-7(1)8-5-12-10(13-8)9-6-14-4-3-11-9/h5,7,9,11H,1-4,6H2,(H,12,13)
InChIKeyHQDAMEQJJBLZIF-UHFFFAOYSA-N
XLogP1.66
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine
CID 116881072
3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine
CID 142382904
2-methyl-5-thiomorpholin-3-yl-1,3-oxazole
CID 105441296
(3S)-3-pyridin-3-ylthiomorpholine
CID 26369463
3-pyridin-3-ylthiomorpholine
CID 3873279
4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine
CID 116877919
5-(thian-4-yl)-1H-imidazole-2-carboxylic acid
CID 115027951
(4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine
CID 59166538
ethane;11-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 144563119
2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole
CID 123214802
4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol
CID 144689956
(5-cyclopropyl-1H-imidazol-2-yl)methanol
CID 105427977

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine?
The IUPAC name of 3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine (CID 105463494) is 3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine.
What is the SMILES notation for 3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine?
The canonical SMILES for 3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine is c1nc(C2CSCCN2)[nH]c1C1CC1.
What is the InChIKey of 3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine?
The InChIKey is HQDAMEQJJBLZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-2-7(1)8-5-12-10(13-8)9-6-14-4-3-11-9/h5,7,9,11H,1-4,6H2,(H,12,13).
What are the key properties of 3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine?
3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine has a molecular weight of 209.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-imidazol-2-yl)thiomorpholine is sourced from PubChem (CID 105463494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).