ethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate

C7H12N2O2S — CID 93488827

IUPACethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)[C@@H]1SC(N)=N[C@@H]1C
InChIInChI=1S/C7H12N2O2S/c1-3-11-6(10)5-4(2)9-7(8)12-5/h4-5H,3H2,1-2H3,(H2,8,9)/t4-,5-/m1/s1
InChIKeyGFJOGOKZDVHURZ-RFZPGFLSSA-N
MW188.25 g/mol
LogP0.37
Rot. Bonds2

About ethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate

ethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate (PubChem CID 93488827) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is ethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
PubChem CID93488827
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Nameethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)[C@@H]1SC(N)=N[C@@H]1C
InChIInChI=1S/C7H12N2O2S/c1-3-11-6(10)5-4(2)9-7(8)12-5/h4-5H,3H2,1-2H3,(H2,8,9)/t4-,5-/m1/s1
InChIKeyGFJOGOKZDVHURZ-RFZPGFLSSA-N
XLogP0.37
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethanone
CID 10261355
ethyl 2-amino-5-chloro-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 89024766
ethyl 2-(benzoylcarbamothioylamino)-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 53326794
diethyl (4R,5R)-2-(2-propan-2-ylidenehydrazinyl)-4,5-dihydro-1,3-thiazole-4,5-dicarboxylate
CID 124926480
diethyl 3,4-dimethylcyclobutane-1,2-dicarboxylate
CID 121013896
trans-diethyl (1S,2S)-4-propan-2-ylidenecyclopentane-1,2-dicarboxylate
CID 22215804
but-2-enedioic acid;bis(4-ethoxy-6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine)
CID 67763241
ethyl 2-oxo-5H-1,3-thiazole-5-carboxylate
CID 170920611
diethyl (4R,5R)-2-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,3-dithiolane-4,5-dicarboxylate
CID 122379425
ethyl (4S)-2-[(1R)-1-aminoethyl]-4,5-dihydro-1,3-thiazole-4-carboxylate;hydrochloride
CID 23552815
ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 124506439
ethyl thiirane-2-carboxylate
CID 12518686

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate (CID 93488827) is ethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate is CCOC(=O)[C@@H]1SC(N)=N[C@@H]1C.
What is the InChIKey of ethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate?
The InChIKey is GFJOGOKZDVHURZ-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-3-11-6(10)5-4(2)9-7(8)12-5/h4-5H,3H2,1-2H3,(H2,8,9)/t4-,5-/m1/s1.
What are the key properties of ethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate?
ethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate has a molecular weight of 188.25 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 93488827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).