tert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C15H24N2O4S — CID 170138341

IUPACtert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCc1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)sc1C
InChIInChI=1S/C15H24N2O4S/c1-9-10(2)22-11(16-9)17(12(18)20-14(3,4)5)13(19)21-15(6,7)8/h1-8H3
InChIKeyGPKOZIQMNGPEID-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.44
Rot. Bonds1

About tert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 170138341) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is tert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID170138341
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Nametert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCc1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)sc1C
InChIInChI=1S/C15H24N2O4S/c1-9-10(2)22-11(16-9)17(12(18)20-14(3,4)5)13(19)21-15(6,7)8/h1-8H3
InChIKeyGPKOZIQMNGPEID-UHFFFAOYSA-N
XLogP4.44
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 170138341) is tert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is Cc1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)sc1C.
What is the InChIKey of tert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is GPKOZIQMNGPEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-9-10(2)22-11(16-9)17(12(18)20-14(3,4)5)13(19)21-15(6,7)8/h1-8H3.
What are the key properties of tert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 328.43 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 170138341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).