2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide

C11H15N5O2S2 — CID 134302640

IUPAC2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(O)C(=O)Nc1nnc(CCCCc2nncs2)s1
InChIInChI=1S/C11H15N5O2S2/c1-7(17)10(18)13-11-16-15-9(20-11)5-3-2-4-8-14-12-6-19-8/h6-7,17H,2-5H2,1H3,(H,13,16,18)
InChIKeyAMOGXOJEEHETQQ-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.27
Rot. Bonds7

About 2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide

2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 134302640) has the molecular formula C11H15N5O2S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID134302640
Molecular FormulaC11H15N5O2S2
Molecular Weight313.41 g/mol
Exact Mass313.07
IUPAC Name2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(O)C(=O)Nc1nnc(CCCCc2nncs2)s1
InChIInChI=1S/C11H15N5O2S2/c1-7(17)10(18)13-11-16-15-9(20-11)5-3-2-4-8-14-12-6-19-8/h6-7,17H,2-5H2,1H3,(H,13,16,18)
InChIKeyAMOGXOJEEHETQQ-UHFFFAOYSA-N
XLogP1.27
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide 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

N-[5-(4-aminobutyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 82176715
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
2-hydroxy-N-[5-[4-[5-[(2-hydroxy-3-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 74982436
2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride
CID 119678026
(2R)-2-methoxy-N-[5-[4-[5-[(2-methoxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 134302619
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 2008219
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 5040744
2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 46508754
2-amino-N-[5-[4-[5-(2-amino-2-phenylacetyl)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 123326629
(2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 95141316
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylthiophene-2-carboxamide
CID 60567181

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 134302640) is 2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide is CC(O)C(=O)Nc1nnc(CCCCc2nncs2)s1.
What is the InChIKey of 2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is AMOGXOJEEHETQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S2/c1-7(17)10(18)13-11-16-15-9(20-11)5-3-2-4-8-14-12-6-19-8/h6-7,17H,2-5H2,1H3,(H,13,16,18).
What are the key properties of 2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide?
2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 313.41 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 134302640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).