tert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate

C14H16N2O2S — CID 119057000

IUPACtert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(-c2ccccc2)s1
InChIInChI=1S/C14H16N2O2S/c1-14(2,3)18-13(17)16-11-9-15-12(19-11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,16,17)
InChIKeyZAKSFYUEUVFFKJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.16
Rot. Bonds2

About tert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate

tert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate (PubChem CID 119057000) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is tert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate
PubChem CID119057000
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nametert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(-c2ccccc2)s1
InChIInChI=1S/C14H16N2O2S/c1-14(2,3)18-13(17)16-11-9-15-12(19-11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,16,17)
InChIKeyZAKSFYUEUVFFKJ-UHFFFAOYSA-N
XLogP4.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate (CID 119057000) is tert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate is CC(C)(C)OC(=O)Nc1cnc(-c2ccccc2)s1.
What is the InChIKey of tert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate?
The InChIKey is ZAKSFYUEUVFFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-14(2,3)18-13(17)16-11-9-15-12(19-11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate?
tert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate has a molecular weight of 276.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate is sourced from PubChem (CID 119057000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).