2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide

C16H17N5OS — CID 135108818

IUPAC2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nncs1)N1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C16H17N5OS/c1-10(15(22)19-16-20-17-9-23-16)21-7-6-12-11-4-2-3-5-13(11)18-14(12)8-21/h2-5,9-10,18H,6-8H2,1H3,(H,19,20,22)
InChIKeyZODPYQRVZIDANB-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.40
Rot. Bonds3

About 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide

2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 135108818) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID135108818
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nncs1)N1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C16H17N5OS/c1-10(15(22)19-16-20-17-9-23-16)21-7-6-12-11-4-2-3-5-13(11)18-14(12)8-21/h2-5,9-10,18H,6-8H2,1H3,(H,19,20,22)
InChIKeyZODPYQRVZIDANB-UHFFFAOYSA-N
XLogP2.40
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 46997789
(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 95395482
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl(thiophen-2-yl)methanone
CID 44771350
2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 91835468
4-hydroxy-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
CID 54713099
1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propane-1-sulfonic acid
CID 87851999
(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 936294
2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 136577902
(2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 124728108
(2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 124752672
N-(5-fluoro-2-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 23935329
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 135108818) is 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide is CC(C(=O)Nc1nncs1)N1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is ZODPYQRVZIDANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-10(15(22)19-16-20-17-9-23-16)21-7-6-12-11-4-2-3-5-13(11)18-14(12)8-21/h2-5,9-10,18H,6-8H2,1H3,(H,19,20,22).
What are the key properties of 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 327.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 135108818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).