[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] thiophene-2-carboxylate

C13H10Cl2N2O3S — CID 4258505

IUPAC[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] thiophene-2-carboxylate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)c2cccs2)c1Cl
InChIInChI=1S/C13H10Cl2N2O3S/c1-7-8(14)5-16-12(11(7)15)17-10(18)6-20-13(19)9-3-2-4-21-9/h2-5H,6H2,1H3,(H,16,17,18)
InChIKeyYJYCDJGECWNVMY-UHFFFAOYSA-N
MW345.21 g/mol
LogP3.55
Rot. Bonds4

About [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] thiophene-2-carboxylate

[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 4258505) has the molecular formula C13H10Cl2N2O3S and a molecular weight of 345.21 g/mol. Its IUPAC name is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] thiophene-2-carboxylate
PubChem CID4258505
Molecular FormulaC13H10Cl2N2O3S
Molecular Weight345.21 g/mol
Exact Mass343.98
IUPAC Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] thiophene-2-carboxylate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)c2cccs2)c1Cl
InChIInChI=1S/C13H10Cl2N2O3S/c1-7-8(14)5-16-12(11(7)15)17-10(18)6-20-13(19)9-3-2-4-21-9/h2-5H,6H2,1H3,(H,16,17,18)
InChIKeyYJYCDJGECWNVMY-UHFFFAOYSA-N
XLogP3.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2547969
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2586435
[1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 4784328
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate
CID 2078915
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate
CID 2377983
[2-[(3,5-Dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] pyridine-4-carboxylate
CID 2625986
5-Nitro-2-thiophenecarboxylic acid [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester
CID 3886666
[2-[(3,5-Dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 4308941
[2-[(3,5-Dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4364862
[1-[(5-Chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-thiophen-3-ylacetate
CID 16338232
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] thiophene-2-carboxylate
CID 2587025
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2587834

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] thiophene-2-carboxylate (CID 4258505) is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] thiophene-2-carboxylate is Cc1c(Cl)cnc(NC(=O)COC(=O)c2cccs2)c1Cl.
What is the InChIKey of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is YJYCDJGECWNVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3S/c1-7-8(14)5-16-12(11(7)15)17-10(18)6-20-13(19)9-3-2-4-21-9/h2-5H,6H2,1H3,(H,16,17,18).
What are the key properties of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] thiophene-2-carboxylate?
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 345.21 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 4258505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).