4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

C13H15N3O2S — CID 825355

IUPAC4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C13H15N3O2S/c1-3-4-11-15-16-13(19-11)14-12(17)9-5-7-10(18-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,14,16,17)
InChIKeyQRJJNMYQXAITAW-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.75
Rot. Bonds5

About 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 825355) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID825355
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C13H15N3O2S/c1-3-4-11-15-16-13(19-11)14-12(17)9-5-7-10(18-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,14,16,17)
InChIKeyQRJJNMYQXAITAW-UHFFFAOYSA-N
XLogP2.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3732616
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109400
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzamide
CID 26197220
(E)-3-(4-methoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 6255070
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 735257
4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086863
4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17193090

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CID 825355) is 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is CCCc1nnc(NC(=O)c2ccc(OC)cc2)s1.
What is the InChIKey of 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is QRJJNMYQXAITAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-4-11-15-16-13(19-11)14-12(17)9-5-7-10(18-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,14,16,17).
What are the key properties of 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 277.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 825355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).