2-(diethylamino)-2-thiophen-3-ylethanethioamide

C10H16N2S2 — CID 84758197

IUPAC2-(diethylamino)-2-thiophen-3-ylethanethioamide
SMILESCCN(CC)C(C(N)=S)c1ccsc1
InChIInChI=1S/C10H16N2S2/c1-3-12(4-2)9(10(11)13)8-5-6-14-7-8/h5-7,9H,3-4H2,1-2H3,(H2,11,13)
InChIKeyFRWJOYNCRDXCMU-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.42
Rot. Bonds5

About 2-(diethylamino)-2-thiophen-3-ylethanethioamide

2-(diethylamino)-2-thiophen-3-ylethanethioamide (PubChem CID 84758197) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 2-(diethylamino)-2-thiophen-3-ylethanethioamide.

Molecular Properties

Compound Name2-(diethylamino)-2-thiophen-3-ylethanethioamide
PubChem CID84758197
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name2-(diethylamino)-2-thiophen-3-ylethanethioamide
SMILESCCN(CC)C(C(N)=S)c1ccsc1
InChIInChI=1S/C10H16N2S2/c1-3-12(4-2)9(10(11)13)8-5-6-14-7-8/h5-7,9H,3-4H2,1-2H3,(H2,11,13)
InChIKeyFRWJOYNCRDXCMU-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl(ethyl)amino]-2-thiophen-3-ylethanethioamide
CID 84758118
2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide
CID 84749719
2-[benzyl(methyl)amino]-2-thiophen-3-ylethanethioamide
CID 84749380
2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide
CID 84749285
2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide
CID 111054972
1-[(2-amino-1-thiophen-3-ylethyl)-ethylamino]-2-methylpropan-2-ol
CID 79384592
2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid
CID 65062970
2-[benzyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide
CID 84749245
4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide
CID 51086143
1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine
CID 79477887
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol
CID 130683153

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-thiophen-3-ylethanethioamide?
The IUPAC name of 2-(diethylamino)-2-thiophen-3-ylethanethioamide (CID 84758197) is 2-(diethylamino)-2-thiophen-3-ylethanethioamide.
What is the SMILES notation for 2-(diethylamino)-2-thiophen-3-ylethanethioamide?
The canonical SMILES for 2-(diethylamino)-2-thiophen-3-ylethanethioamide is CCN(CC)C(C(N)=S)c1ccsc1.
What is the InChIKey of 2-(diethylamino)-2-thiophen-3-ylethanethioamide?
The InChIKey is FRWJOYNCRDXCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-3-12(4-2)9(10(11)13)8-5-6-14-7-8/h5-7,9H,3-4H2,1-2H3,(H2,11,13).
What are the key properties of 2-(diethylamino)-2-thiophen-3-ylethanethioamide?
2-(diethylamino)-2-thiophen-3-ylethanethioamide has a molecular weight of 228.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-thiophen-3-ylethanethioamide is sourced from PubChem (CID 84758197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).