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

C13H23N3O2S — CID 141414336

IUPACtert-butyl N-methyl-N-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
SMILESCc1csc(N(C)CCN(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C13H23N3O2S/c1-10-9-19-11(14-10)15(5)7-8-16(6)12(17)18-13(2,3)4/h9H,7-8H2,1-6H3
InChIKeyYMNHUOAICFRBSX-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.75
Rot. Bonds4

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

tert-butyl N-methyl-N-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethyl]carbamate (PubChem CID 141414336) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
PubChem CID141414336
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Nametert-butyl N-methyl-N-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
SMILESCc1csc(N(C)CCN(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C13H23N3O2S/c1-10-9-19-11(14-10)15(5)7-8-16(6)12(17)18-13(2,3)4/h9H,7-8H2,1-6H3
InChIKeyYMNHUOAICFRBSX-UHFFFAOYSA-N
XLogP2.75
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethyl]carbamate (CID 141414336) is tert-butyl N-methyl-N-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethyl]carbamate is Cc1csc(N(C)CCN(C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-methyl-N-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethyl]carbamate?
The InChIKey is YMNHUOAICFRBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10-9-19-11(14-10)15(5)7-8-16(6)12(17)18-13(2,3)4/h9H,7-8H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethyl]carbamate has a molecular weight of 285.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethyl]carbamate is sourced from PubChem (CID 141414336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).