tert-butyl N-methyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]carbamate

C12H19N3O3S — CID 19753857

IUPACtert-butyl N-methyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]carbamate
SMILESCN(CCC(=O)Nc1nccs1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H19N3O3S/c1-12(2,3)18-11(17)15(4)7-5-9(16)14-10-13-6-8-19-10/h6,8H,5,7H2,1-4H3,(H,13,14,16)
InChIKeyCBMZOUYPGQPBHZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.34
Rot. Bonds4

About tert-butyl N-methyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]carbamate

tert-butyl N-methyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]carbamate (PubChem CID 19753857) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]carbamate
PubChem CID19753857
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Nametert-butyl N-methyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]carbamate
SMILESCN(CCC(=O)Nc1nccs1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H19N3O3S/c1-12(2,3)18-11(17)15(4)7-5-9(16)14-10-13-6-8-19-10/h6,8H,5,7H2,1-4H3,(H,13,14,16)
InChIKeyCBMZOUYPGQPBHZ-UHFFFAOYSA-N
XLogP2.34
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]carbamate (CID 19753857) is tert-butyl N-methyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]carbamate is CN(CCC(=O)Nc1nccs1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]carbamate?
The InChIKey is CBMZOUYPGQPBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-12(2,3)18-11(17)15(4)7-5-9(16)14-10-13-6-8-19-10/h6,8H,5,7H2,1-4H3,(H,13,14,16).
What are the key properties of tert-butyl N-methyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]carbamate?
tert-butyl N-methyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]carbamate has a molecular weight of 285.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]carbamate is sourced from PubChem (CID 19753857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).