5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide

C13H15N3S2 — CID 113320985

IUPAC5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide
SMILESCN(CCc1cccs1)c1ccc(C(N)=S)nc1
InChIInChI=1S/C13H15N3S2/c1-16(7-6-11-3-2-8-18-11)10-4-5-12(13(14)17)15-9-10/h2-5,8-9H,6-7H2,1H3,(H2,14,17)
InChIKeyMONDGZKOXCCBLS-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.46
Rot. Bonds5

About 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide

5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide (PubChem CID 113320985) has the molecular formula C13H15N3S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide
PubChem CID113320985
Molecular FormulaC13H15N3S2
Molecular Weight277.42 g/mol
Exact Mass277.07
IUPAC Name5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide
SMILESCN(CCc1cccs1)c1ccc(C(N)=S)nc1
InChIInChI=1S/C13H15N3S2/c1-16(7-6-11-3-2-8-18-11)10-4-5-12(13(14)17)15-9-10/h2-5,8-9H,6-7H2,1H3,(H2,14,17)
InChIKeyMONDGZKOXCCBLS-UHFFFAOYSA-N
XLogP2.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid
CID 113321661
5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide
CID 115488282
6-(1-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 83127479
6-[(1R)-1-aminopropyl]-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 103937486
4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79493669
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine
CID 79470815
4-N,2-dimethyl-4-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
CID 79475986
5-amino-6-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxamide
CID 114406981
5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-2,5-diamine
CID 43527362
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470640
5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114090453
1,3-dimethyl-5-[methyl(2-thiophen-2-ylethyl)amino]pyrazole-4-carbothioamide
CID 79493990

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide?
The IUPAC name of 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide (CID 113320985) is 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide is CN(CCc1cccs1)c1ccc(C(N)=S)nc1.
What is the InChIKey of 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide?
The InChIKey is MONDGZKOXCCBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S2/c1-16(7-6-11-3-2-8-18-11)10-4-5-12(13(14)17)15-9-10/h2-5,8-9H,6-7H2,1H3,(H2,14,17).
What are the key properties of 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide?
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide has a molecular weight of 277.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 113320985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).