5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide

C9H16N4OS — CID 80616925

IUPAC5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCCCCNC(=O)c1nnc(N)s1
InChIInChI=1S/C9H16N4OS/c1-2-3-4-5-6-11-7(14)8-12-13-9(10)15-8/h2-6H2,1H3,(H2,10,13)(H,11,14)
InChIKeyASQSQCSDAMPAQK-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.43
Rot. Bonds6

About 5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide

5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616925) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616925
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCCCCNC(=O)c1nnc(N)s1
InChIInChI=1S/C9H16N4OS/c1-2-3-4-5-6-11-7(14)8-12-13-9(10)15-8/h2-6H2,1H3,(H2,10,13)(H,11,14)
InChIKeyASQSQCSDAMPAQK-UHFFFAOYSA-N
XLogP1.43
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide
CID 82947069
5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 104765544
5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide
CID 106280130
5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 114117633
2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
CID 177491434
5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617326
4-N,5-N,10-N,11-N,16-N,17-N-hexahexyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene-4,5,10,11,16,17-hexacarboxamide
CID 14294049
4-amino-2-(ethylamino)-N-hexadecyl-1,3-thiazole-5-carboxamide
CID 171133620
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
N-pentyl-1,3-thiazole-2-carboxamide
CID 110695980
3-amino-N-hexylpyrazine-2-carboxamide
CID 32647019
2-amino-N-dodecylbenzamide
CID 54099396

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide (CID 80616925) is 5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide is CCCCCCNC(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ASQSQCSDAMPAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-2-3-4-5-6-11-7(14)8-12-13-9(10)15-8/h2-6H2,1H3,(H2,10,13)(H,11,14).
What are the key properties of 5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).