1,2-dihydropyridine-3-carbothioamide;ethane

C8H14N2S — CID 144789972

IUPAC1,2-dihydropyridine-3-carbothioamide;ethane
SMILESCC.NC(=S)C1=CC=CNC1
InChIInChI=1S/C6H8N2S.C2H6/c7-6(9)5-2-1-3-8-4-5;1-2/h1-3,8H,4H2,(H2,7,9);1-2H3
InChIKeyICKPKVCDAXNFOZ-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.34
Rot. Bonds1

About 1,2-dihydropyridine-3-carbothioamide;ethane

1,2-dihydropyridine-3-carbothioamide;ethane (PubChem CID 144789972) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 1,2-dihydropyridine-3-carbothioamide;ethane.

Molecular Properties

Compound Name1,2-dihydropyridine-3-carbothioamide;ethane
PubChem CID144789972
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name1,2-dihydropyridine-3-carbothioamide;ethane
SMILESCC.NC(=S)C1=CC=CNC1
InChIInChI=1S/C6H8N2S.C2H6/c7-6(9)5-2-1-3-8-4-5;1-2/h1-3,8H,4H2,(H2,7,9);1-2H3
InChIKeyICKPKVCDAXNFOZ-UHFFFAOYSA-N
XLogP1.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-2(1H)-pyridinethione
CID 5371450
N-methyl-2-sulfanyl-pyridine-3-carbothioamide
CID 3002835
N-ethyl-2-sulfanyl-pyridine-3-carbothioamide
CID 3002836
N-propyl-2-sulfanyl-pyridine-3-carbothioamide
CID 3002824
N-butyl-2-sulfanyl-pyridine-3-carbothioamide
CID 3002825
2-Sulfanylpyridine-3-carbothioamide
CID 15631426
Dimethylpyridinethione
CID 20083036
N-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide
CID 10354347
3-(aminomethyl)-1H-pyridine-2-thione
CID 53417243
5-amino-3-methyl-1H-pyridine-2-thione
CID 62476746
3-methyl-1-sulfido-1H-pyridin-1-ium-2-thione
CID 88455753
1-(1,2-dihydropyridin-3-yl)-N-methylmethanamine
CID 89474280

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridine-3-carbothioamide;ethane?
The IUPAC name of 1,2-dihydropyridine-3-carbothioamide;ethane (CID 144789972) is 1,2-dihydropyridine-3-carbothioamide;ethane.
What is the SMILES notation for 1,2-dihydropyridine-3-carbothioamide;ethane?
The canonical SMILES for 1,2-dihydropyridine-3-carbothioamide;ethane is CC.NC(=S)C1=CC=CNC1.
What is the InChIKey of 1,2-dihydropyridine-3-carbothioamide;ethane?
The InChIKey is ICKPKVCDAXNFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S.C2H6/c7-6(9)5-2-1-3-8-4-5;1-2/h1-3,8H,4H2,(H2,7,9);1-2H3.
What are the key properties of 1,2-dihydropyridine-3-carbothioamide;ethane?
1,2-dihydropyridine-3-carbothioamide;ethane has a molecular weight of 170.28 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridine-3-carbothioamide;ethane is sourced from PubChem (CID 144789972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).