[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate

C15H9Cl2N3O3S — CID 2089376

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
SMILESO=C(COC(=O)c1ccc2ncsc2c1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2N3O3S/c16-9-4-10(17)14(18-5-9)20-13(21)6-23-15(22)8-1-2-11-12(3-8)24-7-19-11/h1-5,7H,6H2,(H,18,20,21)
InChIKeyXQNPIDJLKFMCLB-UHFFFAOYSA-N
MW382.23 g/mol
LogP3.79
Rot. Bonds4

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate (PubChem CID 2089376) has the molecular formula C15H9Cl2N3O3S and a molecular weight of 382.23 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
PubChem CID2089376
Molecular FormulaC15H9Cl2N3O3S
Molecular Weight382.23 g/mol
Exact Mass380.97
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
SMILESO=C(COC(=O)c1ccc2ncsc2c1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2N3O3S/c16-9-4-10(17)14(18-5-9)20-13(21)6-23-15(22)8-1-2-11-12(3-8)24-7-19-11/h1-5,7H,6H2,(H,18,20,21)
InChIKeyXQNPIDJLKFMCLB-UHFFFAOYSA-N
XLogP3.79
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-Chloroanilino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 2597030
[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate
CID 4784466
[2-(Benzylcarbamoylamino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 2107643
1,3-Benzothiazole-6-carboxylic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester
CID 2481957
[1-[(3,5-Dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate
CID 4831887
[2-(5-Chloro-2-fluoroanilino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 9107649
[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 2447914
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 2597044
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 2091671
[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate
CID 2448427
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 2597021
[2-(3-Chloroanilino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 2597100

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate (CID 2089376) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate is O=C(COC(=O)c1ccc2ncsc2c1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate?
The InChIKey is XQNPIDJLKFMCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O3S/c16-9-4-10(17)14(18-5-9)20-13(21)6-23-15(22)8-1-2-11-12(3-8)24-7-19-11/h1-5,7H,6H2,(H,18,20,21).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate has a molecular weight of 382.23 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 2089376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).