ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate

C14H22N2O2S — CID 80569564

IUPACethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC2CCCCC2(C)C)n1
InChIInChI=1S/C14H22N2O2S/c1-4-18-12(17)10-9-19-13(15-10)16-11-7-5-6-8-14(11,2)3/h9,11H,4-8H2,1-3H3,(H,15,16)
InChIKeyZNBBFRVAKMSBSC-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.70
Rot. Bonds4

About ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 80569564) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID80569564
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nameethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC2CCCCC2(C)C)n1
InChIInChI=1S/C14H22N2O2S/c1-4-18-12(17)10-9-19-13(15-10)16-11-7-5-6-8-14(11,2)3/h9,11H,4-8H2,1-3H3,(H,15,16)
InChIKeyZNBBFRVAKMSBSC-UHFFFAOYSA-N
XLogP3.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate
CID 80569140
ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576489
2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576470
ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1,3-thiazole-4-carboxylate
CID 80568379
methyl 3-[2-[(2,2-dimethylcyclopentyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040507
ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925303
ethyl 2-[(1-propan-2-ylcyclopropyl)methylamino]-1,3-thiazole-4-carboxylate
CID 114114672
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate
CID 23131099
ethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate
CID 79873423
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
ethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate
CID 171636974

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate (CID 80569564) is ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC2CCCCC2(C)C)n1.
What is the InChIKey of ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is ZNBBFRVAKMSBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-18-12(17)10-9-19-13(15-10)16-11-7-5-6-8-14(11,2)3/h9,11H,4-8H2,1-3H3,(H,15,16).
What are the key properties of ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 282.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80569564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).