tert-butyl 2-[ethyl(3-methylbut-3-enyl)amino]-1,3-thiazole-5-carboxylate

C15H24N2O2S — CID 170222020

IUPACtert-butyl 2-[ethyl(3-methylbut-3-enyl)amino]-1,3-thiazole-5-carboxylate
SMILESC=C(C)CCN(CC)c1ncc(C(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H24N2O2S/c1-7-17(9-8-11(2)3)14-16-10-12(20-14)13(18)19-15(4,5)6/h10H,2,7-9H2,1,3-6H3
InChIKeyBDGRAWBUKZRGIV-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.89
Rot. Bonds6

About tert-butyl 2-[ethyl(3-methylbut-3-enyl)amino]-1,3-thiazole-5-carboxylate

tert-butyl 2-[ethyl(3-methylbut-3-enyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 170222020) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is tert-butyl 2-[ethyl(3-methylbut-3-enyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[ethyl(3-methylbut-3-enyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID170222020
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nametert-butyl 2-[ethyl(3-methylbut-3-enyl)amino]-1,3-thiazole-5-carboxylate
SMILESC=C(C)CCN(CC)c1ncc(C(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H24N2O2S/c1-7-17(9-8-11(2)3)14-16-10-12(20-14)13(18)19-15(4,5)6/h10H,2,7-9H2,1,3-6H3
InChIKeyBDGRAWBUKZRGIV-UHFFFAOYSA-N
XLogP3.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[ethyl(3-methylbut-3-enyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of tert-butyl 2-[ethyl(3-methylbut-3-enyl)amino]-1,3-thiazole-5-carboxylate (CID 170222020) is tert-butyl 2-[ethyl(3-methylbut-3-enyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for tert-butyl 2-[ethyl(3-methylbut-3-enyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for tert-butyl 2-[ethyl(3-methylbut-3-enyl)amino]-1,3-thiazole-5-carboxylate is C=C(C)CCN(CC)c1ncc(C(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl 2-[ethyl(3-methylbut-3-enyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is BDGRAWBUKZRGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-7-17(9-8-11(2)3)14-16-10-12(20-14)13(18)19-15(4,5)6/h10H,2,7-9H2,1,3-6H3.
What are the key properties of tert-butyl 2-[ethyl(3-methylbut-3-enyl)amino]-1,3-thiazole-5-carboxylate?
tert-butyl 2-[ethyl(3-methylbut-3-enyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[ethyl(3-methylbut-3-enyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 170222020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).