3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one

C7H10N2OS — CID 21049415

IUPAC3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)=C1NC(=S)N(C)C1=O
InChIInChI=1S/C7H10N2OS/c1-4(2)5-6(10)9(3)7(11)8-5/h1-3H3,(H,8,11)
InChIKeyXDNVUKPEWQOOIL-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.63
Rot. Bonds

About 3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one

3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one (PubChem CID 21049415) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one
PubChem CID21049415
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)=C1NC(=S)N(C)C1=O
InChIInChI=1S/C7H10N2OS/c1-4(2)5-6(10)9(3)7(11)8-5/h1-3H3,(H,8,11)
InChIKeyXDNVUKPEWQOOIL-UHFFFAOYSA-N
XLogP0.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxyethyl)-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one
CID 39855331
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 5415539
(5E)-5-[(2,5-dimethylthiophen-3-yl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 19288027
(5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19287912
(5Z)-3-methyl-5-(pyrrolidin-1-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 101208978
(5E)-5-[(4,5-dibromothiophen-2-yl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 19287982
(5E)-5-[(4-hydroxyphenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6364461
(5E)-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7333999
(5E)-5-[(4-bromophenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 17125804
5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 839833
(5E)-5-[(4-bromophenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 45042662
(5Z)-1-methyl-5-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 40566398

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one (CID 21049415) is 3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one is CC(C)=C1NC(=S)N(C)C1=O.
What is the InChIKey of 3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one?
The InChIKey is XDNVUKPEWQOOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-4(2)5-6(10)9(3)7(11)8-5/h1-3H3,(H,8,11).
What are the key properties of 3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one?
3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one has a molecular weight of 170.24 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 21049415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).