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

C12H12Cl2N4OS — CID 92659568

IUPACN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide
SMILESNc1nnc(CCCNC(=O)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C12H12Cl2N4OS/c13-8-4-3-7(6-9(8)14)11(19)16-5-1-2-10-17-18-12(15)20-10/h3-4,6H,1-2,5H2,(H2,15,18)(H,16,19)
InChIKeyZTWDMQRUHXVRPT-UHFFFAOYSA-N
MW331.23 g/mol
LogP2.79
Rot. Bonds5

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

N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide (PubChem CID 92659568) has the molecular formula C12H12Cl2N4OS and a molecular weight of 331.23 g/mol. Its IUPAC name is N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide
PubChem CID92659568
Molecular FormulaC12H12Cl2N4OS
Molecular Weight331.23 g/mol
Exact Mass330.01
IUPAC NameN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide
SMILESNc1nnc(CCCNC(=O)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C12H12Cl2N4OS/c13-8-4-3-7(6-9(8)14)11(19)16-5-1-2-10-17-18-12(15)20-10/h3-4,6H,1-2,5H2,(H2,15,18)(H,16,19)
InChIKeyZTWDMQRUHXVRPT-UHFFFAOYSA-N
XLogP2.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 52.79
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]-3,4-dimethoxybenzamide
CID 92659573
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]-4-(piperidin-1-ylmethyl)benzamide
CID 72855136
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]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 91776324
N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]-3,4-dichlorobenzamide
CID 86987400
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-(5-chloropentyl)benzamide
CID 107320915
3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide
CID 78875092
3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429508
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-methyl-4-nitrobenzamide
CID 92659592
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide (CID 92659568) is N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide is Nc1nnc(CCCNC(=O)c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide?
The InChIKey is ZTWDMQRUHXVRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4OS/c13-8-4-3-7(6-9(8)14)11(19)16-5-1-2-10-17-18-12(15)20-10/h3-4,6H,1-2,5H2,(H2,15,18)(H,16,19).
What are the key properties of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide?
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide has a molecular weight of 331.23 g/mol, XLogP of 2.79, 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]-3,4-dichlorobenzamide is sourced from PubChem (CID 92659568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).