tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate

C15H24N2O4S — CID 15934269

IUPACtert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate
SMILESC[C@H]1OC(C)(C)O[C@@H](c2nccs2)[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4S/c1-9-10(17-13(18)21-14(2,3)4)11(12-16-7-8-22-12)20-15(5,6)19-9/h7-11H,1-6H3,(H,17,18)/t9-,10-,11-/m1/s1
InChIKeyAJIRCYUHGMLWMZ-GMTAPVOTSA-N
MW328.43 g/mol
LogP3.25
Rot. Bonds2

About tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate

tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate (PubChem CID 15934269) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate
PubChem CID15934269
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Nametert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate
SMILESC[C@H]1OC(C)(C)O[C@@H](c2nccs2)[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4S/c1-9-10(17-13(18)21-14(2,3)4)11(12-16-7-8-22-12)20-15(5,6)19-9/h7-11H,1-6H3,(H,17,18)/t9-,10-,11-/m1/s1
InChIKeyAJIRCYUHGMLWMZ-GMTAPVOTSA-N
XLogP3.25
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate?
The IUPAC name of tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate (CID 15934269) is tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate is C[C@H]1OC(C)(C)O[C@@H](c2nccs2)[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate?
The InChIKey is AJIRCYUHGMLWMZ-GMTAPVOTSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-9-10(17-13(18)21-14(2,3)4)11(12-16-7-8-22-12)20-15(5,6)19-9/h7-11H,1-6H3,(H,17,18)/t9-,10-,11-/m1/s1.
What are the key properties of tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate?
tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate has a molecular weight of 328.43 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate is sourced from PubChem (CID 15934269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).