tert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate

C12H18N2O3S — CID 165468098

IUPACtert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate
SMILESC[C@@H](C(=O)c1ccns1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O3S/c1-8(10(15)9-6-7-13-18-9)14(5)11(16)17-12(2,3)4/h6-8H,1-5H3/t8-/m0/s1
InChIKeyCFLTUNMAEYFHBB-QMMMGPOBSA-N
MW270.35 g/mol
LogP2.58
Rot. Bonds3

About tert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate

tert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate (PubChem CID 165468098) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate
PubChem CID165468098
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nametert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate
SMILESC[C@@H](C(=O)c1ccns1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O3S/c1-8(10(15)9-6-7-13-18-9)14(5)11(16)17-12(2,3)4/h6-8H,1-5H3/t8-/m0/s1
InChIKeyCFLTUNMAEYFHBB-QMMMGPOBSA-N
XLogP2.58
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575
[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]phenyl] 3,3-dimethylbutaneperoxoate
CID 19691843
tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate
CID 86697894
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
tert-butyl N-(4-chloro-3-oxobutan-2-yl)-N-methylcarbamate
CID 104701196
tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate
CID 116860960
tert-butyl N-methyl-N-(5-methyl-3-oxohex-4-en-2-yl)carbamate
CID 163994359
tert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate
CID 90051746
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788857
tert-butyl N-methyl-N-(3-methyl-1-oxobutan-2-yl)carbamate
CID 22055359
2,2-dimethyl-1-(1,2-thiazol-5-yl)butan-1-one
CID 130986255
(1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 122703485

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate (CID 165468098) is tert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate is C[C@@H](C(=O)c1ccns1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate?
The InChIKey is CFLTUNMAEYFHBB-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(10(15)9-6-7-13-18-9)14(5)11(16)17-12(2,3)4/h6-8H,1-5H3/t8-/m0/s1.
What are the key properties of tert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate?
tert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate has a molecular weight of 270.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate is sourced from PubChem (CID 165468098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).