N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide

C12H14N4OS — CID 46785995

IUPACN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide
SMILESNc1nnc(CCCNC(=O)c2ccccc2)s1
InChIInChI=1S/C12H14N4OS/c13-12-16-15-10(18-12)7-4-8-14-11(17)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,13,16)(H,14,17)
InChIKeyHJPMWPULUMDXCK-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.48
Rot. Bonds5

About N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide

N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide (PubChem CID 46785995) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound NameN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide
PubChem CID46785995
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide
SMILESNc1nnc(CCCNC(=O)c2ccccc2)s1
InChIInChI=1S/C12H14N4OS/c13-12-16-15-10(18-12)7-4-8-14-11(17)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,13,16)(H,14,17)
InChIKeyHJPMWPULUMDXCK-UHFFFAOYSA-N
XLogP1.48
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide
CID 92659801
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide
CID 92659568
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide
CID 92659573
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72855136
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97207201
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 91776324
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70747598
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-nitrobenzamide
CID 92659482
(E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 91790359
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
N-(4-amino-4-sulfanylidenebutyl)benzamide
CID 62666024
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide
CID 92659633

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide?
The IUPAC name of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide (CID 46785995) is N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide.
What is the SMILES notation for N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide?
The canonical SMILES for N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide is Nc1nnc(CCCNC(=O)c2ccccc2)s1.
What is the InChIKey of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide?
The InChIKey is HJPMWPULUMDXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c13-12-16-15-10(18-12)7-4-8-14-11(17)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,13,16)(H,14,17).
What are the key properties of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide?
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide has a molecular weight of 262.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 46785995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).