2-(2-methoxypropylamino)pyridine-4-carbothioamide

C10H15N3OS — CID 102698285

IUPAC2-(2-methoxypropylamino)pyridine-4-carbothioamide
SMILESCOC(C)CNc1cc(C(N)=S)ccn1
InChIInChI=1S/C10H15N3OS/c1-7(14-2)6-13-9-5-8(10(11)15)3-4-12-9/h3-5,7H,6H2,1-2H3,(H2,11,15)(H,12,13)
InChIKeyCBHJJTJSTYKCHU-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.16
Rot. Bonds5

About 2-(2-methoxypropylamino)pyridine-4-carbothioamide

2-(2-methoxypropylamino)pyridine-4-carbothioamide (PubChem CID 102698285) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(2-methoxypropylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(2-methoxypropylamino)pyridine-4-carbothioamide
PubChem CID102698285
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-(2-methoxypropylamino)pyridine-4-carbothioamide
SMILESCOC(C)CNc1cc(C(N)=S)ccn1
InChIInChI=1S/C10H15N3OS/c1-7(14-2)6-13-9-5-8(10(11)15)3-4-12-9/h3-5,7H,6H2,1-2H3,(H2,11,15)(H,12,13)
InChIKeyCBHJJTJSTYKCHU-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

[2-(2-methoxypropylamino)-4-pyridinyl]methanol
CID 102700306
5-(2-methoxypropylamino)pyrazine-2-carbothioamide
CID 102698302
2-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbothioamide
CID 114942527
2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide
CID 24704732
2-[(4-ethylphenyl)methylamino]pyridine-4-carbothioamide
CID 106899895
2-(2-hydroxypropylamino)pyridine-4-carboxamide
CID 130671464
2-(benzylamino)pyridine-4-carbothioamide
CID 24710183
2-(3-butan-2-yloxyanilino)pyridine-4-carbothioamide
CID 62327209
2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide
CID 82939380
2-[2-(diethylamino)ethylamino]pyridine-4-carbothioamide
CID 24711843
6-(2-methoxypropylamino)pyridine-3-carboxamide
CID 102699145
2-(1,2-oxazol-3-ylmethylamino)pyridine-4-carbothioamide
CID 81177193

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropylamino)pyridine-4-carbothioamide?
The IUPAC name of 2-(2-methoxypropylamino)pyridine-4-carbothioamide (CID 102698285) is 2-(2-methoxypropylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 2-(2-methoxypropylamino)pyridine-4-carbothioamide?
The canonical SMILES for 2-(2-methoxypropylamino)pyridine-4-carbothioamide is COC(C)CNc1cc(C(N)=S)ccn1.
What is the InChIKey of 2-(2-methoxypropylamino)pyridine-4-carbothioamide?
The InChIKey is CBHJJTJSTYKCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7(14-2)6-13-9-5-8(10(11)15)3-4-12-9/h3-5,7H,6H2,1-2H3,(H2,11,15)(H,12,13).
What are the key properties of 2-(2-methoxypropylamino)pyridine-4-carbothioamide?
2-(2-methoxypropylamino)pyridine-4-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 2-(2-methoxypropylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 102698285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).