4-(5-methoxypentylamino)pyridine-2-carbothioamide

C12H19N3OS — CID 114130390

IUPAC4-(5-methoxypentylamino)pyridine-2-carbothioamide
SMILESCOCCCCCNc1ccnc(C(N)=S)c1
InChIInChI=1S/C12H19N3OS/c1-16-8-4-2-3-6-14-10-5-7-15-11(9-10)12(13)17/h5,7,9H,2-4,6,8H2,1H3,(H2,13,17)(H,14,15)
InChIKeyRJFPYIFOOFTBOK-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.94
Rot. Bonds8

About 4-(5-methoxypentylamino)pyridine-2-carbothioamide

4-(5-methoxypentylamino)pyridine-2-carbothioamide (PubChem CID 114130390) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-(5-methoxypentylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(5-methoxypentylamino)pyridine-2-carbothioamide
PubChem CID114130390
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-(5-methoxypentylamino)pyridine-2-carbothioamide
SMILESCOCCCCCNc1ccnc(C(N)=S)c1
InChIInChI=1S/C12H19N3OS/c1-16-8-4-2-3-6-14-10-5-7-15-11(9-10)12(13)17/h5,7,9H,2-4,6,8H2,1H3,(H2,13,17)(H,14,15)
InChIKeyRJFPYIFOOFTBOK-UHFFFAOYSA-N
XLogP1.94
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5-methoxypentylamino)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

Related Compounds

4-(4-propan-2-yloxybutylamino)pyridine-2-carbothioamide
CID 114136901
4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide
CID 62926454
2-bromo-4-(4-methoxybutylamino)benzenecarbothioamide
CID 107277648
ethyl 3-[(2-carbamothioyl-4-pyridinyl)amino]propanoate
CID 62926106
N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109201692
4-(2,2-difluoroethylamino)pyridine-2-carbothioamide
CID 115407232
4-(methylamino)pyridine-2-carbothioamide
CID 62926395
N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206317
4-(6-hydroxyhexylamino)pyridine-2-carboxamide
CID 104880508
ethyl 2-[(2-carbamothioyl-4-pyridinyl)amino]acetate
CID 62925037
4-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 62926085
3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113410632

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxypentylamino)pyridine-2-carbothioamide?
The IUPAC name of 4-(5-methoxypentylamino)pyridine-2-carbothioamide (CID 114130390) is 4-(5-methoxypentylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 4-(5-methoxypentylamino)pyridine-2-carbothioamide?
The canonical SMILES for 4-(5-methoxypentylamino)pyridine-2-carbothioamide is COCCCCCNc1ccnc(C(N)=S)c1.
What is the InChIKey of 4-(5-methoxypentylamino)pyridine-2-carbothioamide?
The InChIKey is RJFPYIFOOFTBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-16-8-4-2-3-6-14-10-5-7-15-11(9-10)12(13)17/h5,7,9H,2-4,6,8H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of 4-(5-methoxypentylamino)pyridine-2-carbothioamide?
4-(5-methoxypentylamino)pyridine-2-carbothioamide has a molecular weight of 253.37 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxypentylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 114130390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).