4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione

C10H17N3OS — CID 81335591

IUPAC4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1CC1CN(C)CCO1
InChIInChI=1S/C10H17N3OS/c1-8-5-11-10(15)13(8)7-9-6-12(2)3-4-14-9/h5,9H,3-4,6-7H2,1-2H3,(H,11,15)
InChIKeyKGKUTJGOYUDVIH-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.18
Rot. Bonds2

About 4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione

4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione (PubChem CID 81335591) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione
PubChem CID81335591
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1CC1CN(C)CCO1
InChIInChI=1S/C10H17N3OS/c1-8-5-11-10(15)13(8)7-9-6-12(2)3-4-14-9/h5,9H,3-4,6-7H2,1-2H3,(H,11,15)
InChIKeyKGKUTJGOYUDVIH-UHFFFAOYSA-N
XLogP1.18
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.18
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-[(5-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione
CID 130915024
3-[(4-methylmorpholin-2-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 79071254
3-[(4-ethylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 114400973
3-[(4-methylmorpholin-2-yl)methyl]imidazolidine-2,4-dione
CID 103936187
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 79071422
ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine
CID 144702613
1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
CID 116622203
2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one
CID 79071235
2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine
CID 116620895
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078126
1-[(4-methylmorpholin-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 79777308

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione?
The IUPAC name of 4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione (CID 81335591) is 4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione?
The canonical SMILES for 4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione is Cc1c[nH]c(=S)n1CC1CN(C)CCO1.
What is the InChIKey of 4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione?
The InChIKey is KGKUTJGOYUDVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8-5-11-10(15)13(8)7-9-6-12(2)3-4-14-9/h5,9H,3-4,6-7H2,1-2H3,(H,11,15).
What are the key properties of 4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione?
4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione has a molecular weight of 227.33 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 81335591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).