4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide

C11H17N3OS — CID 62927129

IUPAC4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide
SMILESCOCC(C)N(C)c1ccnc(C(N)=S)c1
InChIInChI=1S/C11H17N3OS/c1-8(7-15-3)14(2)9-4-5-13-10(6-9)11(12)16/h4-6,8H,7H2,1-3H3,(H2,12,16)
InChIKeyOFXUWGQCPGZIQL-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.19
Rot. Bonds5

About 4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide

4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide (PubChem CID 62927129) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide
PubChem CID62927129
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide
SMILESCOCC(C)N(C)c1ccnc(C(N)=S)c1
InChIInChI=1S/C11H17N3OS/c1-8(7-15-3)14(2)9-4-5-13-10(6-9)11(12)16/h4-6,8H,7H2,1-3H3,(H2,12,16)
InChIKeyOFXUWGQCPGZIQL-UHFFFAOYSA-N
XLogP1.19
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide
CID 107546852
4-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carbothioamide
CID 62983627
6-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide
CID 64589442
4-[1-(2-chlorophenyl)ethyl-methylamino]pyridine-2-carbothioamide
CID 62984337
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547062
methyl 2-[(2-carbamothioyl-4-pyridinyl)-ethylamino]acetate
CID 62925404
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide
CID 62925226
2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol
CID 79604011
6-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylpyridin-3-amine
CID 115486936
4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbothioamide
CID 63881095
ethyl 2-[(2-carbamothioyl-4-pyridinyl)-ethylamino]acetate
CID 62925746
4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide
CID 112660217

Frequently Asked Questions

What is the IUPAC name of 4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide?
The IUPAC name of 4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide (CID 62927129) is 4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide is COCC(C)N(C)c1ccnc(C(N)=S)c1.
What is the InChIKey of 4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide?
The InChIKey is OFXUWGQCPGZIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8(7-15-3)14(2)9-4-5-13-10(6-9)11(12)16/h4-6,8H,7H2,1-3H3,(H2,12,16).
What are the key properties of 4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide?
4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide has a molecular weight of 239.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 62927129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).