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

C11H18N2O3S — CID 70144327

IUPACtert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(O)c1nccs1
InChIInChI=1S/C11H18N2O3S/c1-11(2,3)16-10(15)13-5-4-8(14)9-12-6-7-17-9/h6-8,14H,4-5H2,1-3H3,(H,13,15)
InChIKeyYTZYUKUBMGPTPN-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.09
Rot. Bonds4

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

tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate (PubChem CID 70144327) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate
PubChem CID70144327
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Nametert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(O)c1nccs1
InChIInChI=1S/C11H18N2O3S/c1-11(2,3)16-10(15)13-5-4-8(14)9-12-6-7-17-9/h6-8,14H,4-5H2,1-3H3,(H,13,15)
InChIKeyYTZYUKUBMGPTPN-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

tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]carbamate
CID 103390074
2-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylic acid
CID 138455984
tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate
CID 115595638
tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate
CID 107253798
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
CID 22843594
tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate
CID 107237311
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[[(2R)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-2-yl]methyl]carbamate
CID 97175606
tert-butyl N-[2-cyclopropyl-2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]carbamate
CID 103898794
tert-butyl N-[[(2S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-2-yl]methyl]carbamate
CID 129460547
tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate
CID 169466870

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate (CID 70144327) is tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate is CC(C)(C)OC(=O)NCCC(O)c1nccs1.
What is the InChIKey of tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate?
The InChIKey is YTZYUKUBMGPTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-11(2,3)16-10(15)13-5-4-8(14)9-12-6-7-17-9/h6-8,14H,4-5H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate?
tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-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-(1,3-thiazol-2-yl)propyl]carbamate is sourced from PubChem (CID 70144327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).