[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate

C14H13Cl2N3O3S — CID 8534727

IUPAC[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C14H13Cl2N3O3S/c1-3-9-13(23-19-18-9)14(21)22-6-10(20)17-12-8(15)5-4-7(2)11(12)16/h4-5H,3,6H2,1-2H3,(H,17,20)
InChIKeyOYNIOYFWCLVXFJ-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.51
Rot. Bonds5

About [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate

[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate (PubChem CID 8534727) has the molecular formula C14H13Cl2N3O3S and a molecular weight of 374.25 g/mol. Its IUPAC name is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
PubChem CID8534727
Molecular FormulaC14H13Cl2N3O3S
Molecular Weight374.25 g/mol
Exact Mass373.01
IUPAC Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C14H13Cl2N3O3S/c1-3-9-13(23-19-18-9)14(21)22-6-10(20)17-12-8(15)5-4-7(2)11(12)16/h4-5H,3,6H2,1-2H3,(H,17,20)
InChIKeyOYNIOYFWCLVXFJ-UHFFFAOYSA-N
XLogP3.51
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8534701
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535910
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535804
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535330
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507950
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2518276
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8534866
[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 55481469
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535714
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-ethylthiadiazole-5-carboxylate
CID 8668070
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535641

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate (CID 8534727) is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate.
What is the SMILES notation for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The canonical SMILES for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate is CCc1nnsc1C(=O)OCC(=O)Nc1c(Cl)ccc(C)c1Cl.
What is the InChIKey of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The InChIKey is OYNIOYFWCLVXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3S/c1-3-9-13(23-19-18-9)14(21)22-6-10(20)17-12-8(15)5-4-7(2)11(12)16/h4-5H,3,6H2,1-2H3,(H,17,20).
What are the key properties of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate has a molecular weight of 374.25 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate is sourced from PubChem (CID 8534727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).