tert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid

C20H20N2O2S — CID 68894786

IUPACtert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1nc(-c2ccccc2)sc1-c1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-20(2,3)22(19(23)24)17-16(14-10-6-4-7-11-14)25-18(21-17)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,23,24)
InChIKeyMMEZWTYZIHLGNL-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.76
Rot. Bonds3

About tert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid

tert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid (PubChem CID 68894786) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is tert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid
PubChem CID68894786
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Nametert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1nc(-c2ccccc2)sc1-c1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-20(2,3)22(19(23)24)17-16(14-10-6-4-7-11-14)25-18(21-17)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,23,24)
InChIKeyMMEZWTYZIHLGNL-UHFFFAOYSA-N
XLogP5.76
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid?
The IUPAC name of tert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid (CID 68894786) is tert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid.
What is the SMILES notation for tert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid?
The canonical SMILES for tert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid is CC(C)(C)N(C(=O)O)c1nc(-c2ccccc2)sc1-c1ccccc1.
What is the InChIKey of tert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid?
The InChIKey is MMEZWTYZIHLGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-20(2,3)22(19(23)24)17-16(14-10-6-4-7-11-14)25-18(21-17)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,23,24).
What are the key properties of tert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid?
tert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid has a molecular weight of 352.46 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,5-diphenyl-1,3-thiazol-4-yl)carbamic acid is sourced from PubChem (CID 68894786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).