2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide

C14H11N3S3 — CID 39158958

IUPAC2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide
SMILESNC(=S)CSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C14H11N3S3/c15-12(18)7-19-13-10-6-11(9-4-2-1-3-5-9)20-14(10)17-8-16-13/h1-6,8H,7H2,(H2,15,18)
InChIKeyMIKFERCFZCLQJS-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.74
Rot. Bonds4

About 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide

2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide (PubChem CID 39158958) has the molecular formula C14H11N3S3 and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide.

Molecular Properties

Compound Name2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide
PubChem CID39158958
Molecular FormulaC14H11N3S3
Molecular Weight317.46 g/mol
Exact Mass317.01
IUPAC Name2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide
SMILESNC(=S)CSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C14H11N3S3/c15-12(18)7-19-13-10-6-11(9-4-2-1-3-5-9)20-14(10)17-8-16-13/h1-6,8H,7H2,(H2,15,18)
InChIKeyMIKFERCFZCLQJS-UHFFFAOYSA-N
XLogP3.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
CID 7674132
5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol
CID 60613933
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide
CID 4809970
2-[6-(3-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
CID 162676425
N-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2090541
(2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7558288
2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 18137836
4-[(3-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
CID 16541507
N-(tert-butylcarbamoyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 4811737
4-[(3-bromophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
CID 28953931
4-(2-ethoxyethylsulfanyl)-6-phenylthieno[2,3-d]pyrimidine
CID 112783394
6-phenyl-4-(1,3-thiazol-4-ylmethylsulfanyl)thieno[2,3-d]pyrimidine
CID 9437389

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide?
The IUPAC name of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide (CID 39158958) is 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide.
What is the SMILES notation for 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide?
The canonical SMILES for 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide is NC(=S)CSc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide?
The InChIKey is MIKFERCFZCLQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S3/c15-12(18)7-19-13-10-6-11(9-4-2-1-3-5-9)20-14(10)17-8-16-13/h1-6,8H,7H2,(H2,15,18).
What are the key properties of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide?
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide has a molecular weight of 317.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide is sourced from PubChem (CID 39158958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).