3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide

C13H16N4S2 — CID 62684451

IUPAC3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide
SMILESCC(C)N(Cc1cccs1)c1nccnc1C(N)=S
InChIInChI=1S/C13H16N4S2/c1-9(2)17(8-10-4-3-7-19-10)13-11(12(14)18)15-5-6-16-13/h3-7,9H,8H2,1-2H3,(H2,14,18)
InChIKeyPTEWRWAMOJBXKD-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.59
Rot. Bonds5

About 3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide

3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide (PubChem CID 62684451) has the molecular formula C13H16N4S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide
PubChem CID62684451
Molecular FormulaC13H16N4S2
Molecular Weight292.43 g/mol
Exact Mass292.08
IUPAC Name3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide
SMILESCC(C)N(Cc1cccs1)c1nccnc1C(N)=S
InChIInChI=1S/C13H16N4S2/c1-9(2)17(8-10-4-3-7-19-10)13-11(12(14)18)15-5-6-16-13/h3-7,9H,8H2,1-2H3,(H2,14,18)
InChIKeyPTEWRWAMOJBXKD-UHFFFAOYSA-N
XLogP2.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[propan-2-yl(thiophen-2-ylmethyl)amino]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

2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide
CID 61452711
6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide
CID 64589255
3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739374
5-amino-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide
CID 61453095
3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 105367794
2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde
CID 114055506
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79917686
3-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596615
3-[3-hydroxypropyl(propan-2-yl)amino]pyrazine-2-carbothioamide
CID 62684968
5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
CID 54946602
2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
CID 54946553
6-chloro-4,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 63271982

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide?
The IUPAC name of 3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide (CID 62684451) is 3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide.
What is the SMILES notation for 3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide?
The canonical SMILES for 3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide is CC(C)N(Cc1cccs1)c1nccnc1C(N)=S.
What is the InChIKey of 3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide?
The InChIKey is PTEWRWAMOJBXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S2/c1-9(2)17(8-10-4-3-7-19-10)13-11(12(14)18)15-5-6-16-13/h3-7,9H,8H2,1-2H3,(H2,14,18).
What are the key properties of 3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide?
3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide has a molecular weight of 292.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide is sourced from PubChem (CID 62684451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).