tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate

C11H18N2O3S — CID 125181056

IUPACtert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
SMILESCc1nc([C@H](CO)NC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C11H18N2O3S/c1-7-12-9(6-17-7)8(5-14)13-10(15)16-11(2,3)4/h6,8,14H,5H2,1-4H3,(H,13,15)/t8-/m0/s1
InChIKeySMVBZHOLZCETCS-QMMMGPOBSA-N
MW258.34 g/mol
LogP2.01
Rot. Bonds3

About tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate

tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate (PubChem CID 125181056) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
PubChem CID125181056
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Nametert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
SMILESCc1nc([C@H](CO)NC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C11H18N2O3S/c1-7-12-9(6-17-7)8(5-14)13-10(15)16-11(2,3)4/h6,8,14H,5H2,1-4H3,(H,13,15)/t8-/m0/s1
InChIKeySMVBZHOLZCETCS-QMMMGPOBSA-N
XLogP2.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
CID 97184367
tert-butyl N-[1-(1,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]carbamate
CID 167715077
tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate
CID 103901675
tert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate
CID 174292799
tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
CID 10728628
tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate
CID 103936100
tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-2-hydroxyethyl]carbamate
CID 102970126
tert-butyl N-[(1S)-1-(4-cyanothiophen-2-yl)-2-hydroxyethyl]carbamate
CID 163225922
(3S)-3-acetamido-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 104862990
tert-butyl N-[3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropyl]carbamate
CID 165465018
(3S)-3-(2-methyl-1,3-thiazol-4-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104863011
tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate (CID 125181056) is tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate is Cc1nc([C@H](CO)NC(=O)OC(C)(C)C)cs1.
What is the InChIKey of tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate?
The InChIKey is SMVBZHOLZCETCS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-7-12-9(6-17-7)8(5-14)13-10(15)16-11(2,3)4/h6,8,14H,5H2,1-4H3,(H,13,15)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate?
tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate has a molecular weight of 258.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 125181056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).