N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

C15H15N5OS — CID 46997789

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCc1nnc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)s1
InChIInChI=1S/C15H15N5OS/c1-9-18-19-14(22-9)17-15(21)20-7-6-11-10-4-2-3-5-12(10)16-13(11)8-20/h2-5,16H,6-8H2,1H3,(H,17,19,21)
InChIKeyAPTBCYRHDMYCAU-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.92
Rot. Bonds1

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (PubChem CID 46997789) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
PubChem CID46997789
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCc1nnc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)s1
InChIInChI=1S/C15H15N5OS/c1-9-18-19-14(22-9)17-15(21)20-7-6-11-10-4-2-3-5-12(10)16-13(11)8-20/h2-5,16H,6-8H2,1H3,(H,17,19,21)
InChIKeyAPTBCYRHDMYCAU-UHFFFAOYSA-N
XLogP2.92
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (CID 46997789) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is Cc1nnc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The InChIKey is APTBCYRHDMYCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-9-18-19-14(22-9)17-15(21)20-7-6-11-10-4-2-3-5-12(10)16-13(11)8-20/h2-5,16H,6-8H2,1H3,(H,17,19,21).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 46997789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).