ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate

C12H18N2O4S — CID 22135000

IUPACethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)OC(C)(C)C)c1cncs1
InChIInChI=1S/C12H18N2O4S/c1-5-17-10(15)7-14(9-6-13-8-19-9)11(16)18-12(2,3)4/h6,8H,5,7H2,1-4H3
InChIKeyYEEVFAOEXQFNCZ-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.45
Rot. Bonds4

About ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate

ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate (PubChem CID 22135000) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate
PubChem CID22135000
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Nameethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)OC(C)(C)C)c1cncs1
InChIInChI=1S/C12H18N2O4S/c1-5-17-10(15)7-14(9-6-13-8-19-9)11(16)18-12(2,3)4/h6,8H,5,7H2,1-4H3
InChIKeyYEEVFAOEXQFNCZ-UHFFFAOYSA-N
XLogP2.45
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-{[(tert-butoxy)carbonyl]amino}-1,3-thiazole-2-carboxylate
CID 46942156
2-[(2-Methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid
CID 22135181
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]propanoic acid
CID 53820118
Tert-butyl 2-[tert-butyl(1,3-thiazol-2-ylmethyl)amino]acetate
CID 59282789
tert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate
CID 67972333
Tert-butyl 5-[(2-ethoxy-2-oxoethyl)amino]-1,3-thiazole-2-carboxylate
CID 69953048
Tert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate
CID 70895317
Ethyl 2-[methyl(1,3-thiazol-5-yl)amino]acetate
CID 91354380
Methyl 5-((tert-butoxycarbonyl)amino)thiazole-2-carboxylate
CID 91666188
5-[4-[(2-Methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-2-carboxylic acid
CID 134518943
Methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-2-carboxylate
CID 134518956
Lithium 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-2-carboxylate
CID 134518958

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate?
The IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate (CID 22135000) is ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate is CCOC(=O)CN(C(=O)OC(C)(C)C)c1cncs1.
What is the InChIKey of ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate?
The InChIKey is YEEVFAOEXQFNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-5-17-10(15)7-14(9-6-13-8-19-9)11(16)18-12(2,3)4/h6,8H,5,7H2,1-4H3.
What are the key properties of ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate?
ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate has a molecular weight of 286.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate is sourced from PubChem (CID 22135000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).