tert-butyl N-(1,3-thiazol-2-yl)carbamate

C8H12N2O2S — CID 11858898

IUPACtert-butyl N-(1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nccs1
InChIInChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-9-4-5-13-6/h4-5H,1-3H3,(H,9,10,11)
InChIKeyNCJXQSNROJRSSL-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.49
Rot. Bonds1

About tert-butyl N-(1,3-thiazol-2-yl)carbamate

tert-butyl N-(1,3-thiazol-2-yl)carbamate (PubChem CID 11858898) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is tert-butyl N-(1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,3-thiazol-2-yl)carbamate
PubChem CID11858898
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nametert-butyl N-(1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nccs1
InChIInChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-9-4-5-13-6/h4-5H,1-3H3,(H,9,10,11)
InChIKeyNCJXQSNROJRSSL-UHFFFAOYSA-N
XLogP2.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1,3-thiazol-2-yl)carbamate (CID 11858898) is tert-butyl N-(1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,3-thiazol-2-yl)carbamate is CC(C)(C)OC(=O)Nc1nccs1.
What is the InChIKey of tert-butyl N-(1,3-thiazol-2-yl)carbamate?
The InChIKey is NCJXQSNROJRSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-9-4-5-13-6/h4-5H,1-3H3,(H,9,10,11).
What are the key properties of tert-butyl N-(1,3-thiazol-2-yl)carbamate?
tert-butyl N-(1,3-thiazol-2-yl)carbamate has a molecular weight of 200.26 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 11858898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).