ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate

C22H25N3O4S2 — CID 3421026

IUPACethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CN(C2CCCCC2)S(=O)(=O)c2cccc3cccnc23)n1
InChIInChI=1S/C22H25N3O4S2/c1-2-29-22(26)18-15-30-20(24-18)14-25(17-10-4-3-5-11-17)31(27,28)19-12-6-8-16-9-7-13-23-21(16)19/h6-9,12-13,15,17H,2-5,10-11,14H2,1H3
InChIKeyFASUANBLPWJQJJ-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.39
Rot. Bonds7

About ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate

ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 3421026) has the molecular formula C22H25N3O4S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID3421026
Molecular FormulaC22H25N3O4S2
Molecular Weight459.59 g/mol
Exact Mass459.13
IUPAC Nameethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CN(C2CCCCC2)S(=O)(=O)c2cccc3cccnc23)n1
InChIInChI=1S/C22H25N3O4S2/c1-2-29-22(26)18-15-30-20(24-18)14-25(17-10-4-3-5-11-17)31(27,28)19-12-6-8-16-9-7-13-23-21(16)19/h6-9,12-13,15,17H,2-5,10-11,14H2,1H3
InChIKeyFASUANBLPWJQJJ-UHFFFAOYSA-N
XLogP4.39
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[[cyclohexyl(methylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42767655
ethyl 2-[[3-methoxypropyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 5108610
ethyl 2-[[cyclohexyl(thiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196655
methyl 2-[[3-ethoxypropyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3994388
ethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate
CID 1198379
ethyl 2-[[(4-tert-butylbenzoyl)-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate
CID 4024013
ethyl 2-[[cyclohexyl-(3-fluorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196722
ethyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 7360649
ethyl 2-[[(4-butylbenzoyl)-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate
CID 5018167
ethyl 2-[[cyclopropyl-[(2,6-dimethylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 1198331
ethyl 2-[[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 1198204
ethyl 2-[[cyclopropyl-(4-phenylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3933971

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate (CID 3421026) is ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(CN(C2CCCCC2)S(=O)(=O)c2cccc3cccnc23)n1.
What is the InChIKey of ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is FASUANBLPWJQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S2/c1-2-29-22(26)18-15-30-20(24-18)14-25(17-10-4-3-5-11-17)31(27,28)19-12-6-8-16-9-7-13-23-21(16)19/h6-9,12-13,15,17H,2-5,10-11,14H2,1H3.
What are the key properties of ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 459.59 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 3421026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).