[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate

C14H13Cl2N3O3S — CID 8535330

IUPAC[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O3S/c1-2-11-13(23-19-18-11)14(21)22-7-12(20)17-6-8-3-4-9(15)5-10(8)16/h3-5H,2,6-7H2,1H3,(H,17,20)
InChIKeyQQSQARFQEMARCH-UHFFFAOYSA-N
MW374.25 g/mol
LogP2.88
Rot. Bonds6

About [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate (PubChem CID 8535330) has the molecular formula C14H13Cl2N3O3S and a molecular weight of 374.25 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
PubChem CID8535330
Molecular FormulaC14H13Cl2N3O3S
Molecular Weight374.25 g/mol
Exact Mass373.01
IUPAC Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O3S/c1-2-11-13(23-19-18-11)14(21)22-7-12(20)17-6-8-3-4-9(15)5-10(8)16/h3-5H,2,6-7H2,1H3,(H,17,20)
InChIKeyQQSQARFQEMARCH-UHFFFAOYSA-N
XLogP2.88
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 52.88
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-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8534727
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614690
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate
CID 7891762
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7486908
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 2592336
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2571261
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713902
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535773
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535910
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535714
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612438

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate (CID 8535330) is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate is CCc1nnsc1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The InChIKey is QQSQARFQEMARCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3S/c1-2-11-13(23-19-18-11)14(21)22-7-12(20)17-6-8-3-4-9(15)5-10(8)16/h3-5H,2,6-7H2,1H3,(H,17,20).
What are the key properties of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate has a molecular weight of 374.25 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate is sourced from PubChem (CID 8535330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).