N-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide

C10H15N3S2 — CID 10354347

IUPACN-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide
SMILESCN(C)CCNC(=S)c1ccc[nH]c1=S
InChIInChI=1S/C10H15N3S2/c1-13(2)7-6-12-10(15)8-4-3-5-11-9(8)14/h3-5H,6-7H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyOSFBVMDLQDEOKR-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.57
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide

N-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide (PubChem CID 10354347) has the molecular formula C10H15N3S2 and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide
PubChem CID10354347
Molecular FormulaC10H15N3S2
Molecular Weight241.38 g/mol
Exact Mass241.07
IUPAC NameN-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide
SMILESCN(C)CCNC(=S)c1ccc[nH]c1=S
InChIInChI=1S/C10H15N3S2/c1-13(2)7-6-12-10(15)8-4-3-5-11-9(8)14/h3-5H,6-7H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyOSFBVMDLQDEOKR-UHFFFAOYSA-N
XLogP1.57
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide (CID 10354347) is N-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide is CN(C)CCNC(=S)c1ccc[nH]c1=S.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide?
The InChIKey is OSFBVMDLQDEOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S2/c1-13(2)7-6-12-10(15)8-4-3-5-11-9(8)14/h3-5H,6-7H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide?
N-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide has a molecular weight of 241.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide is sourced from PubChem (CID 10354347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).