N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide

C13H13N3O3S — CID 46521837

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H13N3O3S/c1-2-9-12(20-16-15-9)13(17)14-8-3-4-10-11(7-8)19-6-5-18-10/h3-4,7H,2,5-6H2,1H3,(H,14,17)
InChIKeyFHHKJZQZWIJGSD-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.12
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 46521837) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide
PubChem CID46521837
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H13N3O3S/c1-2-9-12(20-16-15-9)13(17)14-8-3-4-10-11(7-8)19-6-5-18-10/h3-4,7H,2,5-6H2,1H3,(H,14,17)
InChIKeyFHHKJZQZWIJGSD-UHFFFAOYSA-N
XLogP2.12
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylthiadiazole-5-carboxamide
CID 17412093
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747200
N-(3-amino-4-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210172
N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206399
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide
CID 102556139
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 28934755
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 51594327
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 47220492
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112759204
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 75396049
2-[(4-ethylthiadiazole-5-carbonyl)amino]-4,5-difluorobenzoic acid
CID 65205703

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide (CID 46521837) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is FHHKJZQZWIJGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-2-9-12(20-16-15-9)13(17)14-8-3-4-10-11(7-8)19-6-5-18-10/h3-4,7H,2,5-6H2,1H3,(H,14,17).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 46521837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).