tert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate

C14H22N2O4S — CID 123978538

IUPACtert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(n2c(O)csc2=O)CC1
InChIInChI=1S/C14H22N2O4S/c1-14(2,3)20-12(18)15-9-4-6-10(7-5-9)16-11(17)8-21-13(16)19/h8-10,17H,4-7H2,1-3H3,(H,15,18)
InChIKeyOLWVAYZIISPUAM-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.62
Rot. Bonds2

About tert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate

tert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate (PubChem CID 123978538) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is tert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate
PubChem CID123978538
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Nametert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(n2c(O)csc2=O)CC1
InChIInChI=1S/C14H22N2O4S/c1-14(2,3)20-12(18)15-9-4-6-10(7-5-9)16-11(17)8-21-13(16)19/h8-10,17H,4-7H2,1-3H3,(H,15,18)
InChIKeyOLWVAYZIISPUAM-UHFFFAOYSA-N
XLogP2.62
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate (CID 123978538) is tert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(n2c(O)csc2=O)CC1.
What is the InChIKey of tert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate?
The InChIKey is OLWVAYZIISPUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(2,3)20-12(18)15-9-4-6-10(7-5-9)16-11(17)8-21-13(16)19/h8-10,17H,4-7H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate?
tert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate has a molecular weight of 314.41 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate is sourced from PubChem (CID 123978538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).