ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate

C19H24N2O4S — CID 59291551

IUPACethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N(CC)C(=O)OC(C)(C)C)sc1-c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-6-21(18(23)25-19(3,4)5)17-20-14(16(22)24-7-2)15(26-17)13-11-9-8-10-12-13/h8-12H,6-7H2,1-5H3
InChIKeyHJFKCIZOTYBEJB-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.75
Rot. Bonds5

About ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate

ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 59291551) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate
PubChem CID59291551
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Nameethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N(CC)C(=O)OC(C)(C)C)sc1-c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-6-21(18(23)25-19(3,4)5)17-20-14(16(22)24-7-2)15(26-17)13-11-9-8-10-12-13/h8-12H,6-7H2,1-5H3
InChIKeyHJFKCIZOTYBEJB-UHFFFAOYSA-N
XLogP4.75
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(3-phenylpropyl)amino]-5-phenyl-1,3-thiazole-4-carboxylate
CID 143733072
ethyl 5-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-iodophenyl)-1,3-thiazole-4-carboxylate
CID 122522213
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291290
ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291434
ethyl 2-(2-bromoethyl)-5-phenyl-1,3-thiazole-4-carboxylate
CID 174600643
ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-4-carboxylate
CID 155592472
ethyl 2-amino-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-2-pyridinyl]acetate
CID 140861912
tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
CID 59580635
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
tert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate
CID 174671899

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate (CID 59291551) is ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N(CC)C(=O)OC(C)(C)C)sc1-c1ccccc1.
What is the InChIKey of ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is HJFKCIZOTYBEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-6-21(18(23)25-19(3,4)5)17-20-14(16(22)24-7-2)15(26-17)13-11-9-8-10-12-13/h8-12H,6-7H2,1-5H3.
What are the key properties of ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate?
ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 376.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 59291551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).