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

C17H18N4OS — CID 60549922

IUPAC6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCc1nnc(NC(=O)c2cccc3c4c([nH]c23)CCC(C)C4)s1
InChIInChI=1S/C17H18N4OS/c1-9-6-7-14-13(8-9)11-4-3-5-12(15(11)18-14)16(22)19-17-21-20-10(2)23-17/h3-5,9,18H,6-8H2,1-2H3,(H,19,21,22)
InChIKeyZFWDSTBWMTZJSE-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.70
Rot. Bonds2

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

6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 60549922) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID60549922
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCc1nnc(NC(=O)c2cccc3c4c([nH]c23)CCC(C)C4)s1
InChIInChI=1S/C17H18N4OS/c1-9-6-7-14-13(8-9)11-4-3-5-12(15(11)18-14)16(22)19-17-21-20-10(2)23-17/h3-5,9,18H,6-8H2,1-2H3,(H,19,21,22)
InChIKeyZFWDSTBWMTZJSE-UHFFFAOYSA-N
XLogP3.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-pyridin-3-yl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46437559
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 84613636
(6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 95139505
6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 71685691
ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate
CID 95253356
(6R)-N-[(2S)-5-hydroxypentan-2-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97321534
(6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 38012087
6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46431719
6-methyl-N-(oxan-2-yloxy)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 51130596
(6R)-6-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 52535773
(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97023855
N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56548048

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 60549922) is 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is Cc1nnc(NC(=O)c2cccc3c4c([nH]c23)CCC(C)C4)s1.
What is the InChIKey of 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is ZFWDSTBWMTZJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-9-6-7-14-13(8-9)11-4-3-5-12(15(11)18-14)16(22)19-17-21-20-10(2)23-17/h3-5,9,18H,6-8H2,1-2H3,(H,19,21,22).
What are the key properties of 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 60549922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).