tert-butyl N-(4-ethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C15H24N2O4S — CID 157201115

IUPACtert-butyl N-(4-ethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCCc1csc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H24N2O4S/c1-8-10-9-22-11(16-10)17(12(18)20-14(2,3)4)13(19)21-15(5,6)7/h9H,8H2,1-7H3
InChIKeyAQUQSHVPEQAPCL-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.38
Rot. Bonds2

About tert-butyl N-(4-ethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(4-ethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 157201115) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is tert-butyl N-(4-ethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-ethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID157201115
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Nametert-butyl N-(4-ethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCCc1csc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H24N2O4S/c1-8-10-9-22-11(16-10)17(12(18)20-14(2,3)4)13(19)21-15(5,6)7/h9H,8H2,1-7H3
InChIKeyAQUQSHVPEQAPCL-UHFFFAOYSA-N
XLogP4.38
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-ethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(4-ethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 157201115) is tert-butyl N-(4-ethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(4-ethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(4-ethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CCc1csc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-(4-ethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is AQUQSHVPEQAPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-8-10-9-22-11(16-10)17(12(18)20-14(2,3)4)13(19)21-15(5,6)7/h9H,8H2,1-7H3.
What are the key properties of tert-butyl N-(4-ethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(4-ethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 328.43 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-ethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 157201115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).