1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone

C14H14N2OS4 — CID 24893969

IUPAC1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone
SMILESCCSC(=S)SCC(=O)c1ccc(-c2ccc(N)cn2)s1
InChIInChI=1S/C14H14N2OS4/c1-2-19-14(18)20-8-11(17)13-6-5-12(21-13)10-4-3-9(15)7-16-10/h3-7H,2,8,15H2,1H3
InChIKeyCZRWMSFEZKHZIS-UHFFFAOYSA-N
MW354.55 g/mol
LogP4.35
Rot. Bonds5

About 1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone

1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone (PubChem CID 24893969) has the molecular formula C14H14N2OS4 and a molecular weight of 354.55 g/mol. Its IUPAC name is 1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone.

Molecular Properties

Compound Name1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone
PubChem CID24893969
Molecular FormulaC14H14N2OS4
Molecular Weight354.55 g/mol
Exact Mass354.00
IUPAC Name1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone
SMILESCCSC(=S)SCC(=O)c1ccc(-c2ccc(N)cn2)s1
InChIInChI=1S/C14H14N2OS4/c1-2-19-14(18)20-8-11(17)13-6-5-12(21-13)10-4-3-9(15)7-16-10/h3-7H,2,8,15H2,1H3
InChIKeyCZRWMSFEZKHZIS-UHFFFAOYSA-N
XLogP4.35
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.55
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone 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

N-hydroxy-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 10242569
2-Thiophenecarboxamide, N-3-pyridinyl-
CID 790407
5-(2-Pyridyl)thiophene-2-carboxamide
CID 2778719
4-bromo-5-ethyl-N-(pyridin-3-yl)thiophene-2-carboxamide
CID 1247729
2,2,2-Trifluoro-1-[5-(2-pyridinyl)-2-thienyl]ethanone
CID 44541233
N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 668938
(E)-1-Pyridin-2-yl-3-thiophen-2-yl-propenone
CID 6244095
N-(pyridin-3-yl)-2-(thiophen-2-yl)acetamide
CID 650269
5-methyl-N-3-pyridinyl-3-thiophenecarboxamide
CID 1246640
N'-(2-thienylmethylene)-2-pyridinecarbohydrazide
CID 5335261
5-(1-isobutyl-2-pyrrolidinyl)-N-3-pyridinyl-2-thiophenecarboxamide bis(trifluoroacetate)
CID 45201592
N-[(3-pyridinylamino)carbonothioyl]-2-thiophenecarboxamide
CID 2894202

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone?
The IUPAC name of 1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone (CID 24893969) is 1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone.
What is the SMILES notation for 1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone?
The canonical SMILES for 1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone is CCSC(=S)SCC(=O)c1ccc(-c2ccc(N)cn2)s1.
What is the InChIKey of 1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone?
The InChIKey is CZRWMSFEZKHZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS4/c1-2-19-14(18)20-8-11(17)13-6-5-12(21-13)10-4-3-9(15)7-16-10/h3-7H,2,8,15H2,1H3.
What are the key properties of 1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone?
1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone has a molecular weight of 354.55 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-amino-2-pyridinyl)thiophen-2-yl]-2-ethylsulfanylcarbothioylsulfanylethanone is sourced from PubChem (CID 24893969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).