4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione

C11H19N3OS — CID 81335287

IUPAC4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1CCCN1CCOCC1
InChIInChI=1S/C11H19N3OS/c1-10-9-12-11(16)14(10)4-2-3-13-5-7-15-8-6-13/h9H,2-8H2,1H3,(H,12,16)
InChIKeyAWKHXCRTHRZKJT-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.58
Rot. Bonds4

About 4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione

4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione (PubChem CID 81335287) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione
PubChem CID81335287
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1CCCN1CCOCC1
InChIInChI=1S/C11H19N3OS/c1-10-9-12-11(16)14(10)4-2-3-13-5-7-15-8-6-13/h9H,2-8H2,1H3,(H,12,16)
InChIKeyAWKHXCRTHRZKJT-UHFFFAOYSA-N
XLogP1.58
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione
CID 115551687
4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione
CID 81335774
1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79294564
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1H-imidazole-2-thione
CID 114538956
3-(2-chlorophenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione
CID 4291278
4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione
CID 81335591
N-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine
CID 7615054
6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one
CID 67560491
3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 25246712
2-[5-methyl-1-(3-morpholin-4-ylpropyl)imidazol-2-yl]sulfanylacetic acid
CID 81337385
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62897666

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione?
The IUPAC name of 4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione (CID 81335287) is 4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione.
What is the SMILES notation for 4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione?
The canonical SMILES for 4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione is Cc1c[nH]c(=S)n1CCCN1CCOCC1.
What is the InChIKey of 4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione?
The InChIKey is AWKHXCRTHRZKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-10-9-12-11(16)14(10)4-2-3-13-5-7-15-8-6-13/h9H,2-8H2,1H3,(H,12,16).
What are the key properties of 4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione?
4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione has a molecular weight of 241.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione is sourced from PubChem (CID 81335287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).