2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-carbothioamide

C15H19N3O2S2 — CID 87419830

IUPAC2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-carbothioamide
SMILESCCCCCOc1cc(C(=S)Nc2nccs2)cc(OC)n1
InChIInChI=1S/C15H19N3O2S2/c1-3-4-5-7-20-13-10-11(9-12(17-13)19-2)14(21)18-15-16-6-8-22-15/h6,8-10H,3-5,7H2,1-2H3,(H,16,18,21)
InChIKeyWNBQHZYIEAWXFC-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.90
Rot. Bonds8

About 2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-carbothioamide

2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-carbothioamide (PubChem CID 87419830) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-carbothioamide
PubChem CID87419830
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-carbothioamide
SMILESCCCCCOc1cc(C(=S)Nc2nccs2)cc(OC)n1
InChIInChI=1S/C15H19N3O2S2/c1-3-4-5-7-20-13-10-11(9-12(17-13)19-2)14(21)18-15-16-6-8-22-15/h6,8-10H,3-5,7H2,1-2H3,(H,16,18,21)
InChIKeyWNBQHZYIEAWXFC-UHFFFAOYSA-N
XLogP3.90
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-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 2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-carbothioamide?
The IUPAC name of 2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-carbothioamide (CID 87419830) is 2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-carbothioamide.
What is the SMILES notation for 2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-carbothioamide?
The canonical SMILES for 2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-carbothioamide is CCCCCOc1cc(C(=S)Nc2nccs2)cc(OC)n1.
What is the InChIKey of 2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-carbothioamide?
The InChIKey is WNBQHZYIEAWXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-3-4-5-7-20-13-10-11(9-12(17-13)19-2)14(21)18-15-16-6-8-22-15/h6,8-10H,3-5,7H2,1-2H3,(H,16,18,21).
What are the key properties of 2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-carbothioamide?
2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-carbothioamide has a molecular weight of 337.47 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-pentoxy-N-(1,3-thiazol-2-yl)pyridine-4-carbothioamide is sourced from PubChem (CID 87419830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).