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

C12H18N2O3S — CID 165468019

IUPACtert-butyl N-[2-methyl-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C(=O)c1ccns1
InChIInChI=1S/C12H18N2O3S/c1-11(2,3)17-10(16)14-12(4,5)9(15)8-6-7-13-18-8/h6-7H,1-5H3,(H,14,16)
InChIKeyLLFHXCKHWKVNDH-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.63
Rot. Bonds3

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

tert-butyl N-[2-methyl-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate (PubChem CID 165468019) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate
PubChem CID165468019
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nametert-butyl N-[2-methyl-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C(=O)c1ccns1
InChIInChI=1S/C12H18N2O3S/c1-11(2,3)17-10(16)14-12(4,5)9(15)8-6-7-13-18-8/h6-7H,1-5H3,(H,14,16)
InChIKeyLLFHXCKHWKVNDH-UHFFFAOYSA-N
XLogP2.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate (CID 165468019) is tert-butyl N-[2-methyl-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)C(=O)c1ccns1.
What is the InChIKey of tert-butyl N-[2-methyl-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate?
The InChIKey is LLFHXCKHWKVNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-11(2,3)17-10(16)14-12(4,5)9(15)8-6-7-13-18-8/h6-7H,1-5H3,(H,14,16).
What are the key properties of tert-butyl N-[2-methyl-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate has a molecular weight of 270.35 g/mol, XLogP of 2.63, 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-methyl-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate is sourced from PubChem (CID 165468019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).