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

C14H14N2O4S — CID 2820507

IUPACethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC(=O)Oc1ccccc1
InChIInChI=1S/C14H14N2O4S/c1-3-19-13(17)11-9(2)16-21-12(11)15-14(18)20-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyPOWRHLZGQFXYME-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.24
Rot. Bonds4

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

ethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate (PubChem CID 2820507) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is ethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate
PubChem CID2820507
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Nameethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC(=O)Oc1ccccc1
InChIInChI=1S/C14H14N2O4S/c1-3-19-13(17)11-9(2)16-21-12(11)15-14(18)20-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyPOWRHLZGQFXYME-UHFFFAOYSA-N
XLogP3.24
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate
CID 79371231
ethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate
CID 58334300
ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375573
phenyl N-[4-carbamoyl-3-[(2,6-difluoro-4-methylphenyl)methoxy]-1,2-thiazol-5-yl]carbamate
CID 11384589
ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79371639
ethyl N-[4-[(E)-N-benzamido-C-methylcarbonimidoyl]-3-methyl-1,2-thiazol-5-yl]carbamate
CID 135618374
ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 6470295
ethyl 5-(3-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375649
ethyl 5-(3,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376443
ethyl 5-(3-chloroanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376080
ethyl 5-(3-fluoro-2-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79364095
ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate
CID 103379207

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate (CID 2820507) is ethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NC(=O)Oc1ccccc1.
What is the InChIKey of ethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is POWRHLZGQFXYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-3-19-13(17)11-9(2)16-21-12(11)15-14(18)20-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,18).
What are the key properties of ethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate?
ethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 306.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 2820507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).