N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide

C14H15N3O3S — CID 18075073

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(C3CC3)s2)c(OC)c1
InChIInChI=1S/C14H15N3O3S/c1-19-9-5-6-10(11(7-9)20-2)12(18)15-14-17-16-13(21-14)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyNVFYKWQXKUMKDZ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.68
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide (PubChem CID 18075073) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
PubChem CID18075073
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(C3CC3)s2)c(OC)c1
InChIInChI=1S/C14H15N3O3S/c1-19-9-5-6-10(11(7-9)20-2)12(18)15-14-17-16-13(21-14)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyNVFYKWQXKUMKDZ-UHFFFAOYSA-N
XLogP2.68
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19229187
N-[5-[(3S)-1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide
CID 40966431
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide
CID 86881719
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide
CID 55979400
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
CID 167979514
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 2370286
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 903456
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 3926032
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 38485260
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 18077911

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide (CID 18075073) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2nnc(C3CC3)s2)c(OC)c1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide?
The InChIKey is NVFYKWQXKUMKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-19-9-5-6-10(11(7-9)20-2)12(18)15-14-17-16-13(21-14)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,15,17,18).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide has a molecular weight of 305.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 18075073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).