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

C19H19N5O2S — CID 92659801

IUPACN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide
SMILESNc1nnc(CCCNC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C19H19N5O2S/c20-19-24-23-16(27-19)10-5-11-21-17(25)14-8-4-9-15(12-14)22-18(26)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H2,20,24)(H,21,25)(H,22,26)
InChIKeyMXHLZZIPAMSTOY-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.74
Rot. Bonds7

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

N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide (PubChem CID 92659801) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide.

Molecular Properties

Compound NameN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide
PubChem CID92659801
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide
SMILESNc1nnc(CCCNC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C19H19N5O2S/c20-19-24-23-16(27-19)10-5-11-21-17(25)14-8-4-9-15(12-14)22-18(26)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H2,20,24)(H,21,25)(H,22,26)
InChIKeyMXHLZZIPAMSTOY-UHFFFAOYSA-N
XLogP2.74
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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]benzamide
CID 46785995
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-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
CID 38205035
3-[(3-aminobenzoyl)amino]-N-[3-[[3-[(3-aminobenzoyl)amino]-5-benzamidobenzoyl]amino]propyl]-5-benzamidobenzamide
CID 10259687
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70747598
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72855136
5-[(4-chlorophenoxy)methyl]-N-[3-(3-phenylpropylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332189
3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
CID 4144744
N-[3-[3-[benzyl(methyl)amino]propylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 46329798
N-[2-[5-[(4-benzamidobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 17193834
3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055307

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide?
The IUPAC name of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide (CID 92659801) is N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide.
What is the SMILES notation for N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide?
The canonical SMILES for N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide is Nc1nnc(CCCNC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1.
What is the InChIKey of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide?
The InChIKey is MXHLZZIPAMSTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c20-19-24-23-16(27-19)10-5-11-21-17(25)14-8-4-9-15(12-14)22-18(26)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H2,20,24)(H,21,25)(H,22,26).
What are the key properties of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide?
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide has a molecular weight of 381.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide is sourced from PubChem (CID 92659801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).