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

C11H16N2O3S — CID 130441257

IUPACtert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]carbamate
SMILESCC(=O)c1csc(CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H16N2O3S/c1-7(14)8-6-17-9(13-8)5-12-10(15)16-11(2,3)4/h6H,5H2,1-4H3,(H,12,15)
InChIKeyWQQSVQKABBJSGZ-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.37
Rot. Bonds3

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

tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]carbamate (PubChem CID 130441257) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]carbamate
PubChem CID130441257
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nametert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]carbamate
SMILESCC(=O)c1csc(CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H16N2O3S/c1-7(14)8-6-17-9(13-8)5-12-10(15)16-11(2,3)4/h6H,5H2,1-4H3,(H,12,15)
InChIKeyWQQSVQKABBJSGZ-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]carbamate (CID 130441257) is tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]carbamate is CC(=O)c1csc(CNC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]carbamate?
The InChIKey is WQQSVQKABBJSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(14)8-6-17-9(13-8)5-12-10(15)16-11(2,3)4/h6H,5H2,1-4H3,(H,12,15).
What are the key properties of tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]carbamate?
tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]carbamate has a molecular weight of 256.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]carbamate is sourced from PubChem (CID 130441257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).