tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate

C15H15N3O3S — CID 69433893

IUPACtert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2ncc(C#N)s2)cc1
InChIInChI=1S/C15H15N3O3S/c1-15(2,3)21-13(19)18-10-4-6-11(7-5-10)20-14-17-9-12(8-16)22-14/h4-7,9H,1-3H3,(H,18,19)
InChIKeyIQXAVTCPPSOWFS-UHFFFAOYSA-N
MW317.37 g/mol
LogP4.15
Rot. Bonds3

About tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate

tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate (PubChem CID 69433893) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate
PubChem CID69433893
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Nametert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2ncc(C#N)s2)cc1
InChIInChI=1S/C15H15N3O3S/c1-15(2,3)21-13(19)18-10-4-6-11(7-5-10)20-14-17-9-12(8-16)22-14/h4-7,9H,1-3H3,(H,18,19)
InChIKeyIQXAVTCPPSOWFS-UHFFFAOYSA-N
XLogP4.15
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate
CID 90741671
tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate
CID 130338485
tert-butyl N-[4-[[5-[5-(1-acetamidoethyl)-1H-pyrazol-3-yl]-1,3-thiazol-2-yl]oxy]phenyl]carbamate
CID 141350292
tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate
CID 133058698
tert-butyl N-[4-(bromomethoxy)phenyl]carbamate
CID 142798016
tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate
CID 66818758
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
tert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate
CID 139833156
trimethyl-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidin-2-yl]azanium
CID 58917187
tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 133057700
bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] benzene-1,4-dicarboxylate
CID 168866198
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate (CID 69433893) is tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(Oc2ncc(C#N)s2)cc1.
What is the InChIKey of tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate?
The InChIKey is IQXAVTCPPSOWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-15(2,3)21-13(19)18-10-4-6-11(7-5-10)20-14-17-9-12(8-16)22-14/h4-7,9H,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate?
tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate has a molecular weight of 317.37 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate is sourced from PubChem (CID 69433893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).