[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

C14H13Cl2N3O4S — CID 24981747

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O4S/c1-8-7-24-14(22)19(8)3-2-12(21)23-6-11(20)18-13-10(16)4-9(15)5-17-13/h4-5,7H,2-3,6H2,1H3,(H,17,18,20)
InChIKeyPSYIRQUYPKRQIS-UHFFFAOYSA-N
MW390.25 g/mol
LogP2.49
Rot. Bonds6

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 24981747) has the molecular formula C14H13Cl2N3O4S and a molecular weight of 390.25 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID24981747
Molecular FormulaC14H13Cl2N3O4S
Molecular Weight390.25 g/mol
Exact Mass389.00
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O4S/c1-8-7-24-14(22)19(8)3-2-12(21)23-6-11(20)18-13-10(16)4-9(15)5-17-13/h4-5,7H,2-3,6H2,1H3,(H,17,18,20)
InChIKeyPSYIRQUYPKRQIS-UHFFFAOYSA-N
XLogP2.49
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (CID 24981747) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is PSYIRQUYPKRQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O4S/c1-8-7-24-14(22)19(8)3-2-12(21)23-6-11(20)18-13-10(16)4-9(15)5-17-13/h4-5,7H,2-3,6H2,1H3,(H,17,18,20).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 390.25 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 24981747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).