ethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate

C10H14N2O4S — CID 843005

IUPACethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)Nc1snc(C)c1C(=O)OCC
InChIInChI=1S/C10H14N2O4S/c1-4-15-9(13)7-6(3)12-17-8(7)11-10(14)16-5-2/h4-5H2,1-3H3,(H,11,14)
InChIKeyPMVBEUUBHVAURF-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.20
Rot. Bonds4

About ethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate

ethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 843005) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is ethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID843005
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Nameethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)Nc1snc(C)c1C(=O)OCC
InChIInChI=1S/C10H14N2O4S/c1-4-15-9(13)7-6(3)12-17-8(7)11-10(14)16-5-2/h4-5H2,1-3H3,(H,11,14)
InChIKeyPMVBEUUBHVAURF-UHFFFAOYSA-N
XLogP2.20
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate (CID 843005) is ethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)Nc1snc(C)c1C(=O)OCC.
What is the InChIKey of ethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is PMVBEUUBHVAURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-4-15-9(13)7-6(3)12-17-8(7)11-10(14)16-5-2/h4-5H2,1-3H3,(H,11,14).
What are the key properties of ethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate?
ethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 258.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 843005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).