tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-hydroxyethyl]-1,3-thiazol-2-yl]carbamate

C14H20F2N4O4S — CID 172594710

IUPACtert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-hydroxyethyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(C(CO)N2CC(F)(F)CNC2=O)s1
InChIInChI=1S/C14H20F2N4O4S/c1-13(2,3)24-12(23)19-10-17-4-9(25-10)8(5-21)20-7-14(15,16)6-18-11(20)22/h4,8,21H,5-7H2,1-3H3,(H,18,22)(H,17,19,23)
InChIKeyWVAOHYKBLRKMTO-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.18
Rot. Bonds4

About tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-hydroxyethyl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-hydroxyethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 172594710) has the molecular formula C14H20F2N4O4S and a molecular weight of 378.40 g/mol. Its IUPAC name is tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-hydroxyethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-hydroxyethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID172594710
Molecular FormulaC14H20F2N4O4S
Molecular Weight378.40 g/mol
Exact Mass378.12
IUPAC Nametert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-hydroxyethyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(C(CO)N2CC(F)(F)CNC2=O)s1
InChIInChI=1S/C14H20F2N4O4S/c1-13(2,3)24-12(23)19-10-17-4-9(25-10)8(5-21)20-7-14(15,16)6-18-11(20)22/h4,8,21H,5-7H2,1-3H3,(H,18,22)(H,17,19,23)
InChIKeyWVAOHYKBLRKMTO-UHFFFAOYSA-N
XLogP2.18
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-hydroxyethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-hydroxyethyl]-1,3-thiazol-2-yl]carbamate (CID 172594710) is tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-hydroxyethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-hydroxyethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-hydroxyethyl]-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1ncc(C(CO)N2CC(F)(F)CNC2=O)s1.
What is the InChIKey of tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-hydroxyethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is WVAOHYKBLRKMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O4S/c1-13(2,3)24-12(23)19-10-17-4-9(25-10)8(5-21)20-7-14(15,16)6-18-11(20)22/h4,8,21H,5-7H2,1-3H3,(H,18,22)(H,17,19,23).
What are the key properties of tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-hydroxyethyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-hydroxyethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 378.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-hydroxyethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 172594710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).