6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide

C10H15N3OS — CID 24706067

IUPAC6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide
SMILESCOCC(C)Nc1ccc(C(N)=S)cn1
InChIInChI=1S/C10H15N3OS/c1-7(6-14-2)13-9-4-3-8(5-12-9)10(11)15/h3-5,7H,6H2,1-2H3,(H2,11,15)(H,12,13)
InChIKeyJAZWNSGWZXJEOD-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.16
Rot. Bonds5

About 6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide

6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide (PubChem CID 24706067) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide
PubChem CID24706067
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide
SMILESCOCC(C)Nc1ccc(C(N)=S)cn1
InChIInChI=1S/C10H15N3OS/c1-7(6-14-2)13-9-4-3-8(5-12-9)10(11)15/h3-5,7H,6H2,1-2H3,(H2,11,15)(H,12,13)
InChIKeyJAZWNSGWZXJEOD-UHFFFAOYSA-N
XLogP1.16
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(2-methylpropoxy)propylamino]pyridine-3-carbothioamide
CID 114098075
6-(dicyclopropylmethylamino)pyridine-3-carbothioamide
CID 54958533
6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide
CID 43524173
6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide
CID 54958448
2-N-(1-methoxypropan-2-yl)pyrazine-2,5-diamine
CID 80652455
N-(1-methoxypropan-2-yl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133488159
6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine
CID 29298750
6-(1-aminopropan-2-ylamino)pyridine-3-carboxamide
CID 63732982
6-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbothioamide
CID 113387312
5-carbamothioyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63749552
6-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 79003427
6-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide
CID 106447647

Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide?
The IUPAC name of 6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide (CID 24706067) is 6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide?
The canonical SMILES for 6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide is COCC(C)Nc1ccc(C(N)=S)cn1.
What is the InChIKey of 6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide?
The InChIKey is JAZWNSGWZXJEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7(6-14-2)13-9-4-3-8(5-12-9)10(11)15/h3-5,7H,6H2,1-2H3,(H2,11,15)(H,12,13).
What are the key properties of 6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide?
6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide has a molecular weight of 225.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide is sourced from PubChem (CID 24706067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).