6-amino-2,3-dimethyl-1,2-dihydropyridine-5-carbothioamide

C8H13N3S — CID 169149276

IUPAC6-amino-2,3-dimethyl-1,2-dihydropyridine-5-carbothioamide
SMILESCC1=CC(C(N)=S)=C(N)NC1C
InChIInChI=1S/C8H13N3S/c1-4-3-6(8(10)12)7(9)11-5(4)2/h3,5,11H,9H2,1-2H3,(H2,10,12)
InChIKeyNHPCOORERLWXCB-UHFFFAOYSA-N
MW183.28 g/mol
LogP0.38
Rot. Bonds1

About 6-amino-2,3-dimethyl-1,2-dihydropyridine-5-carbothioamide

6-amino-2,3-dimethyl-1,2-dihydropyridine-5-carbothioamide (PubChem CID 169149276) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 6-amino-2,3-dimethyl-1,2-dihydropyridine-5-carbothioamide.

Molecular Properties

Compound Name6-amino-2,3-dimethyl-1,2-dihydropyridine-5-carbothioamide
PubChem CID169149276
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name6-amino-2,3-dimethyl-1,2-dihydropyridine-5-carbothioamide
SMILESCC1=CC(C(N)=S)=C(N)NC1C
InChIInChI=1S/C8H13N3S/c1-4-3-6(8(10)12)7(9)11-5(4)2/h3,5,11H,9H2,1-2H3,(H2,10,12)
InChIKeyNHPCOORERLWXCB-UHFFFAOYSA-N
XLogP0.38
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-1H-pyridine-3-carbothioamide
CID 121486137
2,4-Dimethyl-5-(methylaminomethyl)-1,2-dihydropyridin-6-amine
CID 143501878
5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione
CID 156641517
5-(1-aminoethyl)-3-methyl-1H-pyridine-2-thione
CID 102544992
5-(1-aminopropyl)-3-methyl-1H-pyridine-2-thione
CID 102544993
4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione
CID 102545730
5-[(1R)-1-aminoethyl]-3-methyl-1H-pyridine-2-thione
CID 124501580
5-[(1S)-1-aminoethyl]-3-methyl-1H-pyridine-2-thione
CID 124501581
5-[(1S)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione
CID 124501582
5-[(1R)-1-aminopropyl]-3-methyl-1H-pyridine-2-thione
CID 124501583

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethyl-1,2-dihydropyridine-5-carbothioamide?
The IUPAC name of 6-amino-2,3-dimethyl-1,2-dihydropyridine-5-carbothioamide (CID 169149276) is 6-amino-2,3-dimethyl-1,2-dihydropyridine-5-carbothioamide.
What is the SMILES notation for 6-amino-2,3-dimethyl-1,2-dihydropyridine-5-carbothioamide?
The canonical SMILES for 6-amino-2,3-dimethyl-1,2-dihydropyridine-5-carbothioamide is CC1=CC(C(N)=S)=C(N)NC1C.
What is the InChIKey of 6-amino-2,3-dimethyl-1,2-dihydropyridine-5-carbothioamide?
The InChIKey is NHPCOORERLWXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-4-3-6(8(10)12)7(9)11-5(4)2/h3,5,11H,9H2,1-2H3,(H2,10,12).
What are the key properties of 6-amino-2,3-dimethyl-1,2-dihydropyridine-5-carbothioamide?
6-amino-2,3-dimethyl-1,2-dihydropyridine-5-carbothioamide has a molecular weight of 183.28 g/mol, XLogP of 0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-dimethyl-1,2-dihydropyridine-5-carbothioamide is sourced from PubChem (CID 169149276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).