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

C14H17N3O3S — CID 811235

IUPAC3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C14H17N3O3S/c1-4-5-12-16-17-14(21-12)15-13(18)9-6-7-10(19-2)11(8-9)20-3/h6-8H,4-5H2,1-3H3,(H,15,17,18)
InChIKeyALHPDEPKXDQCPV-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.76
Rot. Bonds6

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

3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 811235) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID811235
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C14H17N3O3S/c1-4-5-12-16-17-14(21-12)15-13(18)9-6-7-10(19-2)11(8-9)20-3/h6-8H,4-5H2,1-3H3,(H,15,17,18)
InChIKeyALHPDEPKXDQCPV-UHFFFAOYSA-N
XLogP2.76
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55360863
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 31038115
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1086871
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide
CID 55792414
3,4-dimethoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1402200
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 43045932
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 3910119
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
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-nitrobenzamide
CID 708650

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CID 811235) is 3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is CCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1.
What is the InChIKey of 3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is ALHPDEPKXDQCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-4-5-12-16-17-14(21-12)15-13(18)9-6-7-10(19-2)11(8-9)20-3/h6-8H,4-5H2,1-3H3,(H,15,17,18).
What are the key properties of 3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 307.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 811235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).