N-cyclohexyl-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide

C18H17N3O3S2 — CID 140751545

About N-cyclohexyl-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide

N-cyclohexyl-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide (PubChem CID 140751545) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide
• PubChem CID: 140751545
• Molecular Formula: C18H17N3O3S2
• Molecular Weight: 387.49 g/mol
• Exact Mass: 387.07
• IUPAC Name: N-cyclohexyl-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide
• SMILES: O=C1NC(=S)SC1=Cc1cc2cncc(C(=O)NC3CCCCC3)c2o1
• InChI: InChI=1S/C18H17N3O3S2/c22-16(20-11-4-2-1-3-5-11)13-9-19-8-10-6-12(24-15(10)13)7-14-17(23)21-18(25)26-14/h6-9,11H,1-5H2,(H,20,22)(H,21,23,25)
• InChIKey: DMVKLTSVLJIBHR-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.49
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide?

The IUPAC name of N-cyclohexyl-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide (CID 140751545) is N-cyclohexyl-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide.

What is the SMILES notation for N-cyclohexyl-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide?

The canonical SMILES for N-cyclohexyl-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide is O=C1NC(=S)SC1=Cc1cc2cncc(C(=O)NC3CCCCC3)c2o1.

What is the InChIKey of N-cyclohexyl-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide?

The InChIKey is DMVKLTSVLJIBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c22-16(20-11-4-2-1-3-5-11)13-9-19-8-10-6-12(24-15(10)13)7-14-17(23)21-18(25)26-14/h6-9,11H,1-5H2,(H,20,22)(H,21,23,25).

What are the key properties of N-cyclohexyl-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide?

N-cyclohexyl-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 140751545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).