N-(6-ethyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-4,5-dimethylthiophene-3-carboxamide

C15H15N3O2S3 — CID 4510065

IUPACN-(6-ethyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-4,5-dimethylthiophene-3-carboxamide
SMILESCCc1cc2c(=O)n(NC(=O)c3csc(C)c3C)c(=S)[nH]c2s1
InChIInChI=1S/C15H15N3O2S3/c1-4-9-5-10-13(23-9)16-15(21)18(14(10)20)17-12(19)11-6-22-8(3)7(11)2/h5-6H,4H2,1-3H3,(H,16,21)(H,17,19)
InChIKeyWHTHBNXOHNXWCQ-UHFFFAOYSA-N
MW365.51 g/mol
LogP3.75
Rot. Bonds3

About N-(6-ethyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-4,5-dimethylthiophene-3-carboxamide

N-(6-ethyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-4,5-dimethylthiophene-3-carboxamide (PubChem CID 4510065) has the molecular formula C15H15N3O2S3 and a molecular weight of 365.51 g/mol. Its IUPAC name is N-(6-ethyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(6-ethyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-4,5-dimethylthiophene-3-carboxamide
PubChem CID4510065
Molecular FormulaC15H15N3O2S3
Molecular Weight365.51 g/mol
Exact Mass365.03
IUPAC NameN-(6-ethyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-4,5-dimethylthiophene-3-carboxamide
SMILESCCc1cc2c(=O)n(NC(=O)c3csc(C)c3C)c(=S)[nH]c2s1
InChIInChI=1S/C15H15N3O2S3/c1-4-9-5-10-13(23-9)16-15(21)18(14(10)20)17-12(19)11-6-22-8(3)7(11)2/h5-6H,4H2,1-3H3,(H,16,21)(H,17,19)
InChIKeyWHTHBNXOHNXWCQ-UHFFFAOYSA-N
XLogP3.75
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(6-ethyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-4,5-dimethylthiophene-3-carboxamide (CID 4510065) is N-(6-ethyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(6-ethyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(6-ethyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-4,5-dimethylthiophene-3-carboxamide is CCc1cc2c(=O)n(NC(=O)c3csc(C)c3C)c(=S)[nH]c2s1.
What is the InChIKey of N-(6-ethyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is WHTHBNXOHNXWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S3/c1-4-9-5-10-13(23-9)16-15(21)18(14(10)20)17-12(19)11-6-22-8(3)7(11)2/h5-6H,4H2,1-3H3,(H,16,21)(H,17,19).
What are the key properties of N-(6-ethyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-4,5-dimethylthiophene-3-carboxamide?
N-(6-ethyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 365.51 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 4510065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).