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

C17H17N3OS — CID 2527812

IUPAC(6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESC[C@H]1CCc2[nH]c3ccc(C(=O)Nc4nccs4)cc3c2C1
InChIInChI=1S/C17H17N3OS/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/h3,5-7,9-10,19H,2,4,8H2,1H3,(H,18,20,21)/t10-/m0/s1
InChIKeyYAWNMWDHKFAPLT-JTQLQIEISA-N
MW311.41 g/mol
LogP4.00
Rot. Bonds2

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

(6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 2527812) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is (6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name(6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID2527812
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name(6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESC[C@H]1CCc2[nH]c3ccc(C(=O)Nc4nccs4)cc3c2C1
InChIInChI=1S/C17H17N3OS/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/h3,5-7,9-10,19H,2,4,8H2,1H3,(H,18,20,21)/t10-/m0/s1
InChIKeyYAWNMWDHKFAPLT-JTQLQIEISA-N
XLogP4.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of (6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 2527812) is (6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for (6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for (6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4nccs4)cc3c2C1.
What is the InChIKey of (6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is YAWNMWDHKFAPLT-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17N3OS/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/h3,5-7,9-10,19H,2,4,8H2,1H3,(H,18,20,21)/t10-/m0/s1.
What are the key properties of (6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
(6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 2527812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).