N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C17H19N3OS — CID 43008935

About N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 43008935) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
• PubChem CID: 43008935
• Molecular Formula: C17H19N3OS
• Molecular Weight: 313.43 g/mol
• Exact Mass: 313.12
• IUPAC Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
• SMILES: CC1CCc2[nH]c3ccc(C(=O)NC4=NCCS4)cc3c2C1
• InChI: InChI=1S/C17H19N3OS/c1-10-2-4-14-12(8-10)13-9-11(3-5-15(13)19-14)16(21)20-17-18-6-7-22-17/h3,5,9-10,19H,2,4,6-8H2,1H3,(H,18,20,21)
• InChIKey: ORZLEICNPUICQM-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 57.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.43
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 43008935) is N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CC1CCc2[nH]c3ccc(C(=O)NC4=NCCS4)cc3c2C1.

What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

The InChIKey is ORZLEICNPUICQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-10-2-4-14-12(8-10)13-9-11(3-5-15(13)19-14)16(21)20-17-18-6-7-22-17/h3,5,9-10,19H,2,4,6-8H2,1H3,(H,18,20,21).

What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 43008935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).