(5Z)-1-cyclopentyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione

C14H14N2O3S — CID 951661

IUPAC(5Z)-1-cyclopentyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cccs1
InChIInChI=1S/C14H14N2O3S/c17-12-11(8-10-6-3-7-20-10)13(18)16(14(19)15-12)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,15,17,19)/b11-8-
InChIKeyLZMWGBKYNHCFQU-FLIBITNWSA-N
MW290.34 g/mol
LogP2.15
Rot. Bonds2

About (5Z)-1-cyclopentyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione

(5Z)-1-cyclopentyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione (PubChem CID 951661) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is (5Z)-1-cyclopentyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-1-cyclopentyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
PubChem CID951661
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name(5Z)-1-cyclopentyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cccs1
InChIInChI=1S/C14H14N2O3S/c17-12-11(8-10-6-3-7-20-10)13(18)16(14(19)15-12)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,15,17,19)/b11-8-
InChIKeyLZMWGBKYNHCFQU-FLIBITNWSA-N
XLogP2.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(5Z)-1-cyclohexyl-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2288276
1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 4202872
(5Z)-5-[(4-bromophenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 1325241
(5Z)-1-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 5396320
1-cyclohexyl-5-[(1-ethylpyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 5181074
1-tert-butyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 886551
1-(2-fluorophenyl)-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 703498
(5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 882762
(5Z)-1-cyclohexyl-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 18531630
1-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 3272756
1-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6849225
1-cyclohexyl-5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 4235137

Frequently Asked Questions

What is the IUPAC name of (5Z)-1-cyclopentyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-1-cyclopentyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione (CID 951661) is (5Z)-1-cyclopentyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-1-cyclopentyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-1-cyclopentyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cccs1.
What is the InChIKey of (5Z)-1-cyclopentyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The InChIKey is LZMWGBKYNHCFQU-FLIBITNWSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-12-11(8-10-6-3-7-20-10)13(18)16(14(19)15-12)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,15,17,19)/b11-8-.
What are the key properties of (5Z)-1-cyclopentyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione?
(5Z)-1-cyclopentyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione has a molecular weight of 290.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-cyclopentyl-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 951661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).