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

C14H18N4O3S — CID 92659573

IUPACN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCc2nnc(N)s2)cc1OC
InChIInChI=1S/C14H18N4O3S/c1-20-10-6-5-9(8-11(10)21-2)13(19)16-7-3-4-12-17-18-14(15)22-12/h5-6,8H,3-4,7H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyQHRNOESEYFQMQE-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.50
Rot. Bonds7

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

N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide (PubChem CID 92659573) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide
PubChem CID92659573
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCc2nnc(N)s2)cc1OC
InChIInChI=1S/C14H18N4O3S/c1-20-10-6-5-9(8-11(10)21-2)13(19)16-7-3-4-12-17-18-14(15)22-12/h5-6,8H,3-4,7H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyQHRNOESEYFQMQE-UHFFFAOYSA-N
XLogP1.50
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-dichlorobenzamide
CID 92659568
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 92659644
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide
CID 46785995
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 91831542
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide
CID 92659801
3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739313
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-(4-chloropentyl)-3,4-dimethoxybenzamide
CID 106129860
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide (CID 92659573) is N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCCc2nnc(N)s2)cc1OC.
What is the InChIKey of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide?
The InChIKey is QHRNOESEYFQMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-20-10-6-5-9(8-11(10)21-2)13(19)16-7-3-4-12-17-18-14(15)22-12/h5-6,8H,3-4,7H2,1-2H3,(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-dimethoxybenzamide?
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide has a molecular weight of 322.39 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-dimethoxybenzamide is sourced from PubChem (CID 92659573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).