4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine

C8H14N4O2S — CID 82235461

IUPAC4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine
SMILESCc1nc(NC2CCS(=O)(=O)C2)c(N)[nH]1
InChIInChI=1S/C8H14N4O2S/c1-5-10-7(9)8(11-5)12-6-2-3-15(13,14)4-6/h6,12H,2-4,9H2,1H3,(H,10,11)
InChIKeyGUXUKDGUXZNDHI-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.10
Rot. Bonds2

About 4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine

4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine (PubChem CID 82235461) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine
PubChem CID82235461
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine
SMILESCc1nc(NC2CCS(=O)(=O)C2)c(N)[nH]1
InChIInChI=1S/C8H14N4O2S/c1-5-10-7(9)8(11-5)12-6-2-3-15(13,14)4-6/h6,12H,2-4,9H2,1H3,(H,10,11)
InChIKeyGUXUKDGUXZNDHI-UHFFFAOYSA-N
XLogP-0.10
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80786199
5-bromo-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-2,4-diamine
CID 80784885
N-(1,1-dioxothiolan-3-yl)-2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 50948693
4-N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981415
4-[(1,1-dioxothian-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136956662
5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid
CID 114405135
N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547628
4-[(1,1-dioxothiolan-3-yl)amino]-2,7-dimethyl-7,8-dihydro-5H-pteridin-6-one
CID 91961803
N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine
CID 16780957
N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80932792
4-N-(1,1-dioxothiolan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80932883
5-chloro-4-N-(1,1-dioxothiolan-3-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 80784884

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine (CID 82235461) is 4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine is Cc1nc(NC2CCS(=O)(=O)C2)c(N)[nH]1.
What is the InChIKey of 4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine?
The InChIKey is GUXUKDGUXZNDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-5-10-7(9)8(11-5)12-6-2-3-15(13,14)4-6/h6,12H,2-4,9H2,1H3,(H,10,11).
What are the key properties of 4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine?
4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine has a molecular weight of 230.29 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine is sourced from PubChem (CID 82235461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).