2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine

C8H14N4S — CID 82234689

IUPAC2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine
SMILESCc1nc(N2CCSCC2)c(N)[nH]1
InChIInChI=1S/C8H14N4S/c1-6-10-7(9)8(11-6)12-2-4-13-5-3-12/h2-5,9H2,1H3,(H,10,11)
InChIKeyMOSNQIGMHOZASK-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.85
Rot. Bonds1

About 2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine

2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine (PubChem CID 82234689) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine.

Molecular Properties

Compound Name2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine
PubChem CID82234689
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine
SMILESCc1nc(N2CCSCC2)c(N)[nH]1
InChIInChI=1S/C8H14N4S/c1-6-10-7(9)8(11-6)12-2-4-13-5-3-12/h2-5,9H2,1H3,(H,10,11)
InChIKeyMOSNQIGMHOZASK-UHFFFAOYSA-N
XLogP0.85
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(1,4-thiazepan-4-yl)-1H-imidazol-5-amine
CID 82234699
2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine
CID 82235514
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine
CID 55012097
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine
CID 55011902
2-methyl-4-(2-methylpiperidin-1-yl)-1H-imidazol-5-amine
CID 82234676
5-methyl-6-thiomorpholin-4-ylpyridin-3-amine
CID 62477032
[1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol
CID 82235529
5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide
CID 61097477
5-methyl-2-propan-2-yl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80986492
3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine
CID 102755362
5-methyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80795248
3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile
CID 66835395

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine?
The IUPAC name of 2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine (CID 82234689) is 2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine.
What is the SMILES notation for 2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine?
The canonical SMILES for 2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine is Cc1nc(N2CCSCC2)c(N)[nH]1.
What is the InChIKey of 2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine?
The InChIKey is MOSNQIGMHOZASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-10-7(9)8(11-6)12-2-4-13-5-3-12/h2-5,9H2,1H3,(H,10,11).
What are the key properties of 2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine?
2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine has a molecular weight of 198.29 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine is sourced from PubChem (CID 82234689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).