1,2-dihydropyridine-4-carbothioamide;ethane

C8H14N2S — CID 144789910

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

About 1,2-dihydropyridine-4-carbothioamide;ethane

1,2-dihydropyridine-4-carbothioamide;ethane (PubChem CID 144789910) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 1,2-dihydropyridine-4-carbothioamide;ethane.

Molecular Properties

Compound Name1,2-dihydropyridine-4-carbothioamide;ethane
PubChem CID144789910
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name1,2-dihydropyridine-4-carbothioamide;ethane
SMILESCC.NC(=S)C1=CCNC=C1
InChIInChI=1S/C6H8N2S.C2H6/c7-6(9)5-1-3-8-4-2-5;1-2/h1-3,8H,4H2,(H2,7,9);1-2H3
InChIKeyYUBNBKSANATEFG-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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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridine-4-carbothioamide;ethane?
The IUPAC name of 1,2-dihydropyridine-4-carbothioamide;ethane (CID 144789910) is 1,2-dihydropyridine-4-carbothioamide;ethane.
What is the SMILES notation for 1,2-dihydropyridine-4-carbothioamide;ethane?
The canonical SMILES for 1,2-dihydropyridine-4-carbothioamide;ethane is CC.NC(=S)C1=CCNC=C1.
What is the InChIKey of 1,2-dihydropyridine-4-carbothioamide;ethane?
The InChIKey is YUBNBKSANATEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S.C2H6/c7-6(9)5-1-3-8-4-2-5;1-2/h1-3,8H,4H2,(H2,7,9);1-2H3.
What are the key properties of 1,2-dihydropyridine-4-carbothioamide;ethane?
1,2-dihydropyridine-4-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-4-carbothioamide;ethane is sourced from PubChem (CID 144789910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).