[2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate

C23H19N3O3S — CID 7812672

IUPAC[2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate
SMILESCc1ccc(C)c(-c2csc(NC(=O)COC(=O)c3ccc4ccccc4n3)n2)c1
InChIInChI=1S/C23H19N3O3S/c1-14-7-8-15(2)17(11-14)20-13-30-23(25-20)26-21(27)12-29-22(28)19-10-9-16-5-3-4-6-18(16)24-19/h3-11,13H,12H2,1-2H3,(H,25,26,27)
InChIKeyKLTRCVLZGWRZOX-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.77
Rot. Bonds5

About [2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate

[2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 7812672) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is [2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate
PubChem CID7812672
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name[2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate
SMILESCc1ccc(C)c(-c2csc(NC(=O)COC(=O)c3ccc4ccccc4n3)n2)c1
InChIInChI=1S/C23H19N3O3S/c1-14-7-8-15(2)17(11-14)20-13-30-23(25-20)26-21(27)12-29-22(28)19-10-9-16-5-3-4-6-18(16)24-19/h3-11,13H,12H2,1-2H3,(H,25,26,27)
InChIKeyKLTRCVLZGWRZOX-UHFFFAOYSA-N
XLogP4.77
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402812
2-(2,3-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7921782
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] quinoline-2-carboxylate
CID 95795069
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196976
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196570
2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3324498
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 4182966
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 23768958
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 7891604
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135689544
2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3310660

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate (CID 7812672) is [2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate is Cc1ccc(C)c(-c2csc(NC(=O)COC(=O)c3ccc4ccccc4n3)n2)c1.
What is the InChIKey of [2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is KLTRCVLZGWRZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-14-7-8-15(2)17(11-14)20-13-30-23(25-20)26-21(27)12-29-22(28)19-10-9-16-5-3-4-6-18(16)24-19/h3-11,13H,12H2,1-2H3,(H,25,26,27).
What are the key properties of [2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate?
[2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 417.49 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate is sourced from PubChem (CID 7812672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).