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

C14H24N2O3S — CID 22843594

IUPACtert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
SMILESCC(C)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1nccs1
InChIInChI=1S/C14H24N2O3S/c1-9(2)8-10(11(17)12-15-6-7-20-12)16-13(18)19-14(3,4)5/h6-7,9-11,17H,8H2,1-5H3,(H,16,18)/t10-,11+/m1/s1
InChIKeyUMSAADAHLHDWLT-MNOVXSKESA-N
MW300.42 g/mol
LogP3.12
Rot. Bonds5

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

tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate (PubChem CID 22843594) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
PubChem CID22843594
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Nametert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
SMILESCC(C)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1nccs1
InChIInChI=1S/C14H24N2O3S/c1-9(2)8-10(11(17)12-15-6-7-20-12)16-13(18)19-14(3,4)5/h6-7,9-11,17H,8H2,1-5H3,(H,16,18)/t10-,11+/m1/s1
InChIKeyUMSAADAHLHDWLT-MNOVXSKESA-N
XLogP3.12
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
CID 11796101
tert-butyl N-[(2S)-1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
CID 14523258
tert-butyl N-[(2S)-1-[[(1S,2R)-1-hydroxy-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 22843409
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
tert-butyl N-[1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate
CID 19820362
tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate
CID 70144327
tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate
CID 107237311
tert-butyl N-[2-[[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate
CID 70044060
tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]carbamate
CID 103390074
tert-butyl N-[4-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate
CID 67145345
tert-butyl N-[(2R,3S)-1-amino-2-hydroxy-5-methylhexan-3-yl]carbamate
CID 57207813
tert-butyl N-(1-chloro-2-hydroxy-5-methylhexan-3-yl)carbamate
CID 14180814

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate (CID 22843594) is tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate is CC(C)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1nccs1.
What is the InChIKey of tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate?
The InChIKey is UMSAADAHLHDWLT-MNOVXSKESA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-9(2)8-10(11(17)12-15-6-7-20-12)16-13(18)19-14(3,4)5/h6-7,9-11,17H,8H2,1-5H3,(H,16,18)/t10-,11+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate?
tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate has a molecular weight of 300.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate is sourced from PubChem (CID 22843594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).