tert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate

C15H17N3O3S — CID 134348785

IUPACtert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C(N)=O)c(-c2ccccc2)s1
InChIInChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)18-13-17-10(12(16)19)11(22-13)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,16,19)(H,17,18,20)
InChIKeyLWQRFFCCXODKJY-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.26
Rot. Bonds3

About tert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate

tert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate (PubChem CID 134348785) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is tert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate
PubChem CID134348785
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Nametert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C(N)=O)c(-c2ccccc2)s1
InChIInChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)18-13-17-10(12(16)19)11(22-13)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,16,19)(H,17,18,20)
InChIKeyLWQRFFCCXODKJY-UHFFFAOYSA-N
XLogP3.26
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate (CID 134348785) is tert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate is CC(C)(C)OC(=O)Nc1nc(C(N)=O)c(-c2ccccc2)s1.
What is the InChIKey of tert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is LWQRFFCCXODKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)18-13-17-10(12(16)19)11(22-13)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,16,19)(H,17,18,20).
What are the key properties of tert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 319.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 134348785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).