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

C9H14N2O3S — CID 103774905

IUPACtert-butyl N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H14N2O3S/c1-9(2,3)14-7(12)10-4-6-5-15-8(13)11-6/h5H,4H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyVZSNWSPUCQBPCG-UHFFFAOYSA-N
MW230.29 g/mol
LogP1.46
Rot. Bonds2

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

tert-butyl N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]carbamate (PubChem CID 103774905) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is tert-butyl N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]carbamate
PubChem CID103774905
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Nametert-butyl N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H14N2O3S/c1-9(2,3)14-7(12)10-4-6-5-15-8(13)11-6/h5H,4H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyVZSNWSPUCQBPCG-UHFFFAOYSA-N
XLogP1.46
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]carbamate (CID 103774905) is tert-butyl N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of tert-butyl N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]carbamate?
The InChIKey is VZSNWSPUCQBPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-9(2,3)14-7(12)10-4-6-5-15-8(13)11-6/h5H,4H2,1-3H3,(H,10,12)(H,11,13).
What are the key properties of tert-butyl N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]carbamate?
tert-butyl N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]carbamate has a molecular weight of 230.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]carbamate is sourced from PubChem (CID 103774905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).