2-amino-2-methyl-1H-pyridine-3-carbothioamide

C7H11N3S — CID 121486137

IUPAC2-amino-2-methyl-1H-pyridine-3-carbothioamide
SMILESCC1(N)NC=CC=C1C(N)=S
InChIInChI=1S/C7H11N3S/c1-7(9)5(6(8)11)3-2-4-10-7/h2-4,10H,9H2,1H3,(H2,8,11)
InChIKeyWKBHUXMDBZACJG-UHFFFAOYSA-N
MW169.25 g/mol
LogP-0.01
Rot. Bonds1

About 2-amino-2-methyl-1H-pyridine-3-carbothioamide

2-amino-2-methyl-1H-pyridine-3-carbothioamide (PubChem CID 121486137) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-amino-2-methyl-1H-pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-amino-2-methyl-1H-pyridine-3-carbothioamide
PubChem CID121486137
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-amino-2-methyl-1H-pyridine-3-carbothioamide
SMILESCC1(N)NC=CC=C1C(N)=S
InChIInChI=1S/C7H11N3S/c1-7(9)5(6(8)11)3-2-4-10-7/h2-4,10H,9H2,1H3,(H2,8,11)
InChIKeyWKBHUXMDBZACJG-UHFFFAOYSA-N
XLogP-0.01
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
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 2-amino-2-methyl-1H-pyridine-3-carbothioamide?
The IUPAC name of 2-amino-2-methyl-1H-pyridine-3-carbothioamide (CID 121486137) is 2-amino-2-methyl-1H-pyridine-3-carbothioamide.
What is the SMILES notation for 2-amino-2-methyl-1H-pyridine-3-carbothioamide?
The canonical SMILES for 2-amino-2-methyl-1H-pyridine-3-carbothioamide is CC1(N)NC=CC=C1C(N)=S.
What is the InChIKey of 2-amino-2-methyl-1H-pyridine-3-carbothioamide?
The InChIKey is WKBHUXMDBZACJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-7(9)5(6(8)11)3-2-4-10-7/h2-4,10H,9H2,1H3,(H2,8,11).
What are the key properties of 2-amino-2-methyl-1H-pyridine-3-carbothioamide?
2-amino-2-methyl-1H-pyridine-3-carbothioamide has a molecular weight of 169.25 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1H-pyridine-3-carbothioamide is sourced from PubChem (CID 121486137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).