4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide

C12H17N3S — CID 62925199

IUPAC4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide
SMILESCCCN(c1ccnc(C(N)=S)c1)C1CC1
InChIInChI=1S/C12H17N3S/c1-2-7-15(9-3-4-9)10-5-6-14-11(8-10)12(13)16/h5-6,8-9H,2-4,7H2,1H3,(H2,13,16)
InChIKeyCNCKTJFSCHMREP-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.09
Rot. Bonds5

About 4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide

4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide (PubChem CID 62925199) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide
PubChem CID62925199
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide
SMILESCCCN(c1ccnc(C(N)=S)c1)C1CC1
InChIInChI=1S/C12H17N3S/c1-2-7-15(9-3-4-9)10-5-6-14-11(8-10)12(13)16/h5-6,8-9H,2-4,7H2,1H3,(H2,13,16)
InChIKeyCNCKTJFSCHMREP-UHFFFAOYSA-N
XLogP2.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[cyclopropyl(propyl)amino]pyridine-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

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide?
The IUPAC name of 4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide (CID 62925199) is 4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide is CCCN(c1ccnc(C(N)=S)c1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide?
The InChIKey is CNCKTJFSCHMREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-2-7-15(9-3-4-9)10-5-6-14-11(8-10)12(13)16/h5-6,8-9H,2-4,7H2,1H3,(H2,13,16).
What are the key properties of 4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide?
4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide has a molecular weight of 235.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 62925199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).