tert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate

C12H20N2O2S — CID 174909780

IUPACtert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate
SMILESCc1nc(CCNC(=O)OC(C)(C)C)sc1C
InChIInChI=1S/C12H20N2O2S/c1-8-9(2)17-10(14-8)6-7-13-11(15)16-12(3,4)5/h6-7H2,1-5H3,(H,13,15)
InChIKeyUJQQVIRUJZGWDR-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.83
Rot. Bonds3

About tert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate

tert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate (PubChem CID 174909780) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is tert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate
PubChem CID174909780
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Nametert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate
SMILESCc1nc(CCNC(=O)OC(C)(C)C)sc1C
InChIInChI=1S/C12H20N2O2S/c1-8-9(2)17-10(14-8)6-7-13-11(15)16-12(3,4)5/h6-7H2,1-5H3,(H,13,15)
InChIKeyUJQQVIRUJZGWDR-UHFFFAOYSA-N
XLogP2.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate (CID 174909780) is tert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate is Cc1nc(CCNC(=O)OC(C)(C)C)sc1C.
What is the InChIKey of tert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate?
The InChIKey is UJQQVIRUJZGWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8-9(2)17-10(14-8)6-7-13-11(15)16-12(3,4)5/h6-7H2,1-5H3,(H,13,15).
What are the key properties of tert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate?
tert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate has a molecular weight of 256.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 174909780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).