(5Z)-1,3-dimethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

C11H12N2OS2 — CID 897590

IUPAC(5Z)-1,3-dimethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(/C=C2/C(=O)N(C)C(=S)N2C)s1
InChIInChI=1S/C11H12N2OS2/c1-7-4-5-8(16-7)6-9-10(14)13(3)11(15)12(9)2/h4-6H,1-3H3/b9-6-
InChIKeyPBHUMLHKSQNACJ-TWGQIWQCSA-N
MW252.36 g/mol
LogP2.09
Rot. Bonds1

About (5Z)-1,3-dimethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-1,3-dimethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 897590) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (5Z)-1,3-dimethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-1,3-dimethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID897590
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name(5Z)-1,3-dimethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(/C=C2/C(=O)N(C)C(=S)N2C)s1
InChIInChI=1S/C11H12N2OS2/c1-7-4-5-8(16-7)6-9-10(14)13(3)11(15)12(9)2/h4-6H,1-3H3/b9-6-
InChIKeyPBHUMLHKSQNACJ-TWGQIWQCSA-N
XLogP2.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-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
5-(2-Thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469195
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
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
2-Imino-1-methyl-5-[(5-methyl-2-thienyl)methylene]-4-imidazolidinone
CID 885627
Methyl [3-methyl-4-oxo-5-(2-thienylmethylene)-2-thioxo-1-imidazolidinyl]acetate
CID 2190820
(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one
CID 56950035
3-(1-Piperidinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469476

Frequently Asked Questions

What is the IUPAC name of (5Z)-1,3-dimethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-1,3-dimethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 897590) is (5Z)-1,3-dimethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-1,3-dimethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-1,3-dimethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is Cc1ccc(/C=C2/C(=O)N(C)C(=S)N2C)s1.
What is the InChIKey of (5Z)-1,3-dimethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is PBHUMLHKSQNACJ-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-7-4-5-8(16-7)6-9-10(14)13(3)11(15)12(9)2/h4-6H,1-3H3/b9-6-.
What are the key properties of (5Z)-1,3-dimethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-1,3-dimethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 252.36 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1,3-dimethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 897590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).