ethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate

C16H20N2O4S — CID 42768154

IUPACethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CN(C(=O)c2ccco2)C(C)(C)C)n1
InChIInChI=1S/C16H20N2O4S/c1-5-21-15(20)11-10-23-13(17-11)9-18(16(2,3)4)14(19)12-7-6-8-22-12/h6-8,10H,5,9H2,1-4H3
InChIKeyRURQGIWIFQSNJR-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.35
Rot. Bonds5

About ethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate

ethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 42768154) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is ethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID42768154
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Nameethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CN(C(=O)c2ccco2)C(C)(C)C)n1
InChIInChI=1S/C16H20N2O4S/c1-5-21-15(20)11-10-23-13(17-11)9-18(16(2,3)4)14(19)12-7-6-8-22-12/h6-8,10H,5,9H2,1-4H3
InChIKeyRURQGIWIFQSNJR-UHFFFAOYSA-N
XLogP3.35
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[tert-butyl-(4-butylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 4222839
ethyl 2-[[tert-butyl-(4-hexylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3400603
ethyl 2-[[tert-butyl(2-chloropropanoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42768162
ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568223
methyl 2-[[tert-butyl-(4-butylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3347913
ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate
CID 137320111
ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate
CID 99816625
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 46827373
ethyl 2-[[(4-tert-butylbenzoyl)-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate
CID 4024013
ethyl 2-(methylsulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 115422507
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
methyl 2-[[tert-butyl-[4-(trifluoromethyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 1197561

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate (CID 42768154) is ethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(CN(C(=O)c2ccco2)C(C)(C)C)n1.
What is the InChIKey of ethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is RURQGIWIFQSNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-5-21-15(20)11-10-23-13(17-11)9-18(16(2,3)4)14(19)12-7-6-8-22-12/h6-8,10H,5,9H2,1-4H3.
What are the key properties of ethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 336.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 42768154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).