ethyl 2-amino-4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate

C8H14N2O2S — CID 139472266

IUPACethyl 2-amino-4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)C1SC(N)=NC1CC
InChIInChI=1S/C8H14N2O2S/c1-3-5-6(7(11)12-4-2)13-8(9)10-5/h5-6H,3-4H2,1-2H3,(H2,9,10)
InChIKeySJJWWDLIMFPKIB-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.76
Rot. Bonds3

About ethyl 2-amino-4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate

ethyl 2-amino-4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate (PubChem CID 139472266) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is ethyl 2-amino-4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate
PubChem CID139472266
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Nameethyl 2-amino-4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)C1SC(N)=NC1CC
InChIInChI=1S/C8H14N2O2S/c1-3-5-6(7(11)12-4-2)13-8(9)10-5/h5-6H,3-4H2,1-2H3,(H2,9,10)
InChIKeySJJWWDLIMFPKIB-UHFFFAOYSA-N
XLogP0.76
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4R,5R)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
CID 155535776
2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
CID 155567178
Ethyl 2-amino-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 70930827
Methyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate
CID 13590071
Ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate
CID 15038778
Ethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 89272039
Ethyl 4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 139472267
Ethyl 2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 45076185
Ethyl 2-(acetylamino)-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 45124387
ethyl (4S,5S)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 93488824
ethyl (4S,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 93488825
ethyl (4R,5S)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 93488826

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate (CID 139472266) is ethyl 2-amino-4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate is CCOC(=O)C1SC(N)=NC1CC.
What is the InChIKey of ethyl 2-amino-4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate?
The InChIKey is SJJWWDLIMFPKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-3-5-6(7(11)12-4-2)13-8(9)10-5/h5-6H,3-4H2,1-2H3,(H2,9,10).
What are the key properties of ethyl 2-amino-4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate has a molecular weight of 202.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-ethyl-4,5-dihydro-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 139472266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).