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

C14H22N2O4S2 — CID 42767655

IUPACethyl 2-[[cyclohexyl(methylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CN(C2CCCCC2)S(C)(=O)=O)n1
InChIInChI=1S/C14H22N2O4S2/c1-3-20-14(17)12-10-21-13(15-12)9-16(22(2,18)19)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3
InChIKeySBLMMEDSLLGFFB-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.41
Rot. Bonds6

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

ethyl 2-[[cyclohexyl(methylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 42767655) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is ethyl 2-[[cyclohexyl(methylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[cyclohexyl(methylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID42767655
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC Nameethyl 2-[[cyclohexyl(methylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CN(C2CCCCC2)S(C)(=O)=O)n1
InChIInChI=1S/C14H22N2O4S2/c1-3-20-14(17)12-10-21-13(15-12)9-16(22(2,18)19)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3
InChIKeySBLMMEDSLLGFFB-UHFFFAOYSA-N
XLogP2.41
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3421026
ethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate
CID 1198379
ethyl 2-[[cyclohexyl(thiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196655
ethyl 2-[[(4-tert-butylbenzoyl)-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate
CID 4024013
ethyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 7360649
ethyl 2-[[cyclohexyl-(3-fluorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196722
ethyl 2-[[(4-butylbenzoyl)-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate
CID 5018167
ethyl 2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42768170
ethyl 2-[[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 4006128
ethyl 2-[[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 1198204
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
ethyl 2-[[cyclopropyl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 7271046

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[cyclohexyl(methylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[cyclohexyl(methylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate (CID 42767655) is ethyl 2-[[cyclohexyl(methylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[cyclohexyl(methylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[cyclohexyl(methylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(CN(C2CCCCC2)S(C)(=O)=O)n1.
What is the InChIKey of ethyl 2-[[cyclohexyl(methylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is SBLMMEDSLLGFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-3-20-14(17)12-10-21-13(15-12)9-16(22(2,18)19)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[[cyclohexyl(methylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[[cyclohexyl(methylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[cyclohexyl(methylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 42767655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).