tert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate

C11H18N2O3S — CID 91189740

IUPACtert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(O)c1ccns1
InChIInChI=1S/C11H18N2O3S/c1-11(2,3)16-10(15)12-6-4-8(14)9-5-7-13-17-9/h5,7-8,14H,4,6H2,1-3H3,(H,12,15)
InChIKeyOTPKTXCALZGQJX-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.09
Rot. Bonds4

About tert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate

tert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate (PubChem CID 91189740) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate
PubChem CID91189740
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Nametert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(O)c1ccns1
InChIInChI=1S/C11H18N2O3S/c1-11(2,3)16-10(15)12-6-4-8(14)9-5-7-13-17-9/h5,7-8,14H,4,6H2,1-3H3,(H,12,15)
InChIKeyOTPKTXCALZGQJX-UHFFFAOYSA-N
XLogP2.09
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Methylamino)-1-(1,2-thiazol-5-yl)ethanol
CID 131036683

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate (CID 91189740) is tert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate is CC(C)(C)OC(=O)NCCC(O)c1ccns1.
What is the InChIKey of tert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate?
The InChIKey is OTPKTXCALZGQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-11(2,3)16-10(15)12-6-4-8(14)9-5-7-13-17-9/h5,7-8,14H,4,6H2,1-3H3,(H,12,15).
What are the key properties of tert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate?
tert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate has a molecular weight of 258.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate is sourced from PubChem (CID 91189740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).