N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide

C20H19N3O3S — CID 2229462

IUPACN-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide
SMILESCCOCCc1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1
InChIInChI=1S/C20H19N3O3S/c1-2-25-12-11-17-22-23-20(27-17)21-19(24)18-13-7-3-5-9-15(13)26-16-10-6-4-8-14(16)18/h3-10,18H,2,11-12H2,1H3,(H,21,23,24)
InChIKeyZPJZIORGEDOVHL-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.99
Rot. Bonds6

About N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide

N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide (PubChem CID 2229462) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide
PubChem CID2229462
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide
SMILESCCOCCc1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1
InChIInChI=1S/C20H19N3O3S/c1-2-25-12-11-17-22-23-20(27-17)21-19(24)18-13-7-3-5-9-15(13)26-16-10-6-4-8-14(16)18/h3-10,18H,2,11-12H2,1H3,(H,21,23,24)
InChIKeyZPJZIORGEDOVHL-UHFFFAOYSA-N
XLogP3.99
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 2972072
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide
CID 1077837
4-chloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2201164
3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 134705450
2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide
CID 22515510
N-[5-[2-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethoxy]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 3101008
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide
CID 1358705
(2S,3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7390299
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51230111
(3S)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7337465
1-(3,4-dimethylphenyl)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 17082427
1-cyclopentyl-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 17081469

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide (CID 2229462) is N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide is CCOCCc1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1.
What is the InChIKey of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide?
The InChIKey is ZPJZIORGEDOVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-2-25-12-11-17-22-23-20(27-17)21-19(24)18-13-7-3-5-9-15(13)26-16-10-6-4-8-14(16)18/h3-10,18H,2,11-12H2,1H3,(H,21,23,24).
What are the key properties of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide?
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 2229462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).