(5Z)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

C12H12N2OS2 — CID 45034877

IUPAC(5Z)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2cccs2)N(C)C1=S
InChIInChI=1S/C12H12N2OS2/c1-3-6-14-11(15)10(13(2)12(14)16)8-9-5-4-7-17-9/h3-5,7-8H,1,6H2,2H3/b10-8-
InChIKeyHFHMRQRPBZUPPH-NTMALXAHSA-N
MW264.38 g/mol
LogP2.33
Rot. Bonds3

About (5Z)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

(5Z)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (PubChem CID 45034877) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is (5Z)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
PubChem CID45034877
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name(5Z)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2cccs2)N(C)C1=S
InChIInChI=1S/C12H12N2OS2/c1-3-6-14-11(15)10(13(2)12(14)16)8-9-5-4-7-17-9/h3-5,7-8H,1,6H2,2H3/b10-8-
InChIKeyHFHMRQRPBZUPPH-NTMALXAHSA-N
XLogP2.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Ethyl-1-methyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 2181114
(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5400728
Methyl {5-[(5-ethyl-2-thienyl)methylene]-3-methyl-4-oxo-2-thioxo-1-imidazolidinyl}acetate
CID 753448
3-Ethyl-5-[(5-ethylthien-2-yl)methylene]-1-methyl-2-thioxoimidazolidin-4-one
CID 900275
5-(2-Thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469195
5-(2-Thienylmethylene)-2,4-imidazolidinedione
CID 6508822
3-Cyclopropyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 1798503
5-[(5-Methyl-2-thienyl)methylene]-3-propyl-2-thioxo-4-imidazolidinone
CID 5400801
3-Isobutyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5411556
Methyl [3-methyl-4-oxo-5-(2-thienylmethylene)-2-thioxo-1-imidazolidinyl]acetate
CID 2190820
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N,N-diethylacetamide
CID 43004769
(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one
CID 56950035

Frequently Asked Questions

What is the IUPAC name of (5Z)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The IUPAC name of (5Z)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (CID 45034877) is (5Z)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.
What is the SMILES notation for (5Z)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The canonical SMILES for (5Z)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is C=CCN1C(=O)/C(=C/c2cccs2)N(C)C1=S.
What is the InChIKey of (5Z)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The InChIKey is HFHMRQRPBZUPPH-NTMALXAHSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-3-6-14-11(15)10(13(2)12(14)16)8-9-5-4-7-17-9/h3-5,7-8H,1,6H2,2H3/b10-8-.
What are the key properties of (5Z)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
(5Z)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one has a molecular weight of 264.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-methyl-3-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is sourced from PubChem (CID 45034877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).