5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide

C12H18N4S — CID 113417506

IUPAC5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide
SMILESCC(C)C1CCN(c2cnc(C(N)=S)cn2)C1
InChIInChI=1S/C12H18N4S/c1-8(2)9-3-4-16(7-9)11-6-14-10(5-15-11)12(13)17/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,17)
InChIKeyYZRYCRJUCCHBQT-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.59
Rot. Bonds3

About 5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide

5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide (PubChem CID 113417506) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide.

Molecular Properties

Compound Name5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide
PubChem CID113417506
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide
SMILESCC(C)C1CCN(c2cnc(C(N)=S)cn2)C1
InChIInChI=1S/C12H18N4S/c1-8(2)9-3-4-16(7-9)11-6-14-10(5-15-11)12(13)17/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,17)
InChIKeyYZRYCRJUCCHBQT-UHFFFAOYSA-N
XLogP1.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(3-propan-2-ylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 107380838
5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide
CID 81203585
[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 114927096
N-[[5-(3-propan-2-ylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380839
5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 175889178
1-[6-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
CID 113419282
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
methyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate
CID 114090571
5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054244
3-chloro-4-(3-propan-2-ylpyrrolidin-1-yl)benzenecarbothioamide
CID 113417496
5-[3-(diethylamino)pyrrolidin-1-yl]pyridine-2-carbothioamide
CID 115488587
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 112627849

Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide?
The IUPAC name of 5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide (CID 113417506) is 5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide.
What is the SMILES notation for 5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide?
The canonical SMILES for 5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide is CC(C)C1CCN(c2cnc(C(N)=S)cn2)C1.
What is the InChIKey of 5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide?
The InChIKey is YZRYCRJUCCHBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-8(2)9-3-4-16(7-9)11-6-14-10(5-15-11)12(13)17/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,17).
What are the key properties of 5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide?
5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide has a molecular weight of 250.37 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide is sourced from PubChem (CID 113417506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).