ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate

C13H20N2O2S — CID 79375806

IUPACethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC1CCCCC1
InChIInChI=1S/C13H20N2O2S/c1-3-17-13(16)11-9(2)15-18-12(11)14-10-7-5-4-6-8-10/h10,14H,3-8H2,1-2H3
InChIKeyHUCGVZSBYHPABN-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.37
Rot. Bonds4

About ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate

ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 79375806) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID79375806
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Nameethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC1CCCCC1
InChIInChI=1S/C13H20N2O2S/c1-3-17-13(16)11-9(2)15-18-12(11)14-10-7-5-4-6-8-10/h10,14H,3-8H2,1-2H3
InChIKeyHUCGVZSBYHPABN-UHFFFAOYSA-N
XLogP3.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 6470295
ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375895
ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79364490
ethyl 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375572
ethyl 5-[[4-(cyclopropylamino)-4-oxobutyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79382005
ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate
CID 79364480
ethyl 5-(3-ethoxypropylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376446
[2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 8646690
ethyl 5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79376002
ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79364101
ethyl 5-(3,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376443
ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375573

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate (CID 79375806) is ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NC1CCCCC1.
What is the InChIKey of ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is HUCGVZSBYHPABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-17-13(16)11-9(2)15-18-12(11)14-10-7-5-4-6-8-10/h10,14H,3-8H2,1-2H3.
What are the key properties of ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate?
ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79375806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).