[2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate

C19H23N3O7S — CID 19911975

IUPAC[2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate
SMILESCOc1cccc(OC)c1C(=O)Nc1nnc(C(C)(C)COC(=O)COC(C)=O)s1
InChIInChI=1S/C19H23N3O7S/c1-11(23)28-9-14(24)29-10-19(2,3)17-21-22-18(30-17)20-16(25)15-12(26-4)7-6-8-13(15)27-5/h6-8H,9-10H2,1-5H3,(H,20,22,25)
InChIKeyBFYOGRVGHWCQQX-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.19
Rot. Bonds9

About [2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate

[2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate (PubChem CID 19911975) has the molecular formula C19H23N3O7S and a molecular weight of 437.47 g/mol. Its IUPAC name is [2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate.

Molecular Properties

Compound Name[2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate
PubChem CID19911975
Molecular FormulaC19H23N3O7S
Molecular Weight437.47 g/mol
Exact Mass437.13
IUPAC Name[2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate
SMILESCOc1cccc(OC)c1C(=O)Nc1nnc(C(C)(C)COC(=O)COC(C)=O)s1
InChIInChI=1S/C19H23N3O7S/c1-11(23)28-9-14(24)29-10-19(2,3)17-21-22-18(30-17)20-16(25)15-12(26-4)7-6-8-13(15)27-5/h6-8H,9-10H2,1-5H3,(H,20,22,25)
InChIKeyBFYOGRVGHWCQQX-UHFFFAOYSA-N
XLogP2.19
TPSA125.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2,6-dimethoxy-N-[5-(2-methyl-1-methylsulfanylpropan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13234326
2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13234327
2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13239351
[2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate
CID 19911910
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 777660
2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320230
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
[4-[[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl] acetate
CID 17320140
N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 13234330
N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 23458626
2,6-dimethoxy-N-[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 4150288
2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13229314

Frequently Asked Questions

What is the IUPAC name of [2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate?
The IUPAC name of [2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate (CID 19911975) is [2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate.
What is the SMILES notation for [2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate?
The canonical SMILES for [2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate is COc1cccc(OC)c1C(=O)Nc1nnc(C(C)(C)COC(=O)COC(C)=O)s1.
What is the InChIKey of [2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate?
The InChIKey is BFYOGRVGHWCQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7S/c1-11(23)28-9-14(24)29-10-19(2,3)17-21-22-18(30-17)20-16(25)15-12(26-4)7-6-8-13(15)27-5/h6-8H,9-10H2,1-5H3,(H,20,22,25).
What are the key properties of [2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate?
[2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate has a molecular weight of 437.47 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate is sourced from PubChem (CID 19911975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).