ethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate

C14H22N2O5S — CID 15287810

IUPACethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C(COC)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H22N2O5S/c1-6-20-12(17)10-8-22-11(15-10)9(7-19-5)16-13(18)21-14(2,3)4/h8-9H,6-7H2,1-5H3,(H,16,18)
InChIKeyUKVRFNWECSADRA-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.53
Rot. Bonds6

About ethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate

ethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate (PubChem CID 15287810) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is ethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate
PubChem CID15287810
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Nameethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C(COC)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H22N2O5S/c1-6-20-12(17)10-8-22-11(15-10)9(7-19-5)16-13(18)21-14(2,3)4/h8-9H,6-7H2,1-5H3,(H,16,18)
InChIKeyUKVRFNWECSADRA-UHFFFAOYSA-N
XLogP2.53
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2-(pyrrolidin-2-yl)-1,3-thiazole-4-carboxylate
CID 485045
2-(((Tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylic acid
CID 10199046
Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate
CID 485035
Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylate
CID 9925901
2-(2-(((Tert-butoxy)carbonyl)amino)ethyl)-1,3-thiazole-4-carboxylic acid
CID 15046418
2-(1-(((Tert-butoxy)carbonyl)amino)ethyl)-1,3-thiazole-4-carboxylic acid
CID 21634039
Tert-butyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 66381496
methyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
CID 90665655
tert-butyl N-[1-(4-carbamoylthiazol-2-yl)ethyl]carbamate
CID 485037
2-(1-tert-Butoxycarbonylamino-3-methyl-butyl)-thiazole-4-carboxylic acid
CID 485039
Ethyl 2-[1-(tert-butoxycarbonylamino)-2-methyl-propyl]thiazole-4-carboxylate
CID 485041
Ethyl 2-[1-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propyl]thiazole-4-carboxylate
CID 485053

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate (CID 15287810) is ethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(C(COC)NC(=O)OC(C)(C)C)n1.
What is the InChIKey of ethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate?
The InChIKey is UKVRFNWECSADRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-6-20-12(17)10-8-22-11(15-10)9(7-19-5)16-13(18)21-14(2,3)4/h8-9H,6-7H2,1-5H3,(H,16,18).
What are the key properties of ethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate has a molecular weight of 330.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 15287810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).