tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate

C12H18N2O3S — CID 165471034

IUPACtert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate
SMILESCC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1nccs1
InChIInChI=1S/C12H18N2O3S/c1-5-8(9(15)10-13-6-7-18-10)14-11(16)17-12(2,3)4/h6-8H,5H2,1-4H3,(H,14,16)/t8-/m1/s1
InChIKeyBFJBADGHNBIXST-MRVPVSSYSA-N
MW270.35 g/mol
LogP2.63
Rot. Bonds4

About tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate

tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate (PubChem CID 165471034) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate
PubChem CID165471034
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nametert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate
SMILESCC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1nccs1
InChIInChI=1S/C12H18N2O3S/c1-5-8(9(15)10-13-6-7-18-10)14-11(16)17-12(2,3)4/h6-8H,5H2,1-4H3,(H,14,16)/t8-/m1/s1
InChIKeyBFJBADGHNBIXST-MRVPVSSYSA-N
XLogP2.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate
CID 91457987
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
tert-butyl N-[(2S)-1-oxo-3-[2-(prop-1-en-2-ylamino)cyclohexyl]-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
CID 54201221
tert-butyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 155566656
tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate
CID 107250464
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
CID 162513184
CID 162513184
2-(pyrimidin-2-ylamino)ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 95281054
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-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate
CID 165468552
tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate
CID 115595638
chloro (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 174709718

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate (CID 165471034) is tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate is CC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1nccs1.
What is the InChIKey of tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate?
The InChIKey is BFJBADGHNBIXST-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-5-8(9(15)10-13-6-7-18-10)14-11(16)17-12(2,3)4/h6-8H,5H2,1-4H3,(H,14,16)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate?
tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate has a molecular weight of 270.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate is sourced from PubChem (CID 165471034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).