tert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate

C11H16N2O3S — CID 165464788

IUPACtert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate
SMILESCc1cc(C(=O)CNC(=O)OC(C)(C)C)sn1
InChIInChI=1S/C11H16N2O3S/c1-7-5-9(17-13-7)8(14)6-12-10(15)16-11(2,3)4/h5H,6H2,1-4H3,(H,12,15)
InChIKeyBUIRMMFOEBCKJJ-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.16
Rot. Bonds3

About tert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate

tert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate (PubChem CID 165464788) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is tert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate
PubChem CID165464788
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nametert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate
SMILESCc1cc(C(=O)CNC(=O)OC(C)(C)C)sn1
InChIInChI=1S/C11H16N2O3S/c1-7-5-9(17-13-7)8(14)6-12-10(15)16-11(2,3)4/h5H,6H2,1-4H3,(H,12,15)
InChIKeyBUIRMMFOEBCKJJ-UHFFFAOYSA-N
XLogP2.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(3-methyl-1,2-thiazol-5-yl)-1-oxopropan-2-yl]carbamate
CID 165464711
methyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]thiophene-2-carboxylate
CID 158312026
tert-butyl N-[2-(1-benzothiophen-2-yl)-2-oxoethyl]carbamate
CID 21064726
tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate
CID 138987299
tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate
CID 165467941
tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 25239151
tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate
CID 165468430
tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate
CID 54302318
methyl 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyridine-3-carboxylate
CID 21064712
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
CID 16740549
tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate
CID 115611755
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate (CID 165464788) is tert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate is Cc1cc(C(=O)CNC(=O)OC(C)(C)C)sn1.
What is the InChIKey of tert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate?
The InChIKey is BUIRMMFOEBCKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-5-9(17-13-7)8(14)6-12-10(15)16-11(2,3)4/h5H,6H2,1-4H3,(H,12,15).
What are the key properties of tert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate?
tert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate has a molecular weight of 256.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 165464788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).