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

C16H20N2O2S — CID 118514562

IUPACtert-butyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)20-15(19)17-10-9-13-11-21-14(18-13)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,17,19)
InChIKeyGZBRDWWYPMMLHH-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.88
Rot. Bonds4

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

tert-butyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate (PubChem CID 118514562) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is tert-butyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate
PubChem CID118514562
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Nametert-butyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)20-15(19)17-10-9-13-11-21-14(18-13)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,17,19)
InChIKeyGZBRDWWYPMMLHH-UHFFFAOYSA-N
XLogP3.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.88
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-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate (CID 118514562) is tert-butyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of tert-butyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate?
The InChIKey is GZBRDWWYPMMLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(2,3)20-15(19)17-10-9-13-11-21-14(18-13)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate?
tert-butyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate has a molecular weight of 304.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 118514562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).