propan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate

C16H19NO3S — CID 70538271

IUPACpropan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate
SMILESCC(C)OC(=O)C(C)(C)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C16H19NO3S/c1-11(2)19-14(18)16(3,4)12-5-7-13(8-6-12)20-15-17-9-10-21-15/h5-11H,1-4H3
InChIKeyBDLORCDCLKSMRT-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.16
Rot. Bonds5

About propan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate

propan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate (PubChem CID 70538271) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is propan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate
PubChem CID70538271
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Namepropan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate
SMILESCC(C)OC(=O)C(C)(C)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C16H19NO3S/c1-11(2)19-14(18)16(3,4)12-5-7-13(8-6-12)20-15-17-9-10-21-15/h5-11H,1-4H3
InChIKeyBDLORCDCLKSMRT-UHFFFAOYSA-N
XLogP4.16
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate 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 propan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate?
The IUPAC name of propan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate (CID 70538271) is propan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate.
What is the SMILES notation for propan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate?
The canonical SMILES for propan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate is CC(C)OC(=O)C(C)(C)c1ccc(Oc2nccs2)cc1.
What is the InChIKey of propan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate?
The InChIKey is BDLORCDCLKSMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11(2)19-14(18)16(3,4)12-5-7-13(8-6-12)20-15-17-9-10-21-15/h5-11H,1-4H3.
What are the key properties of propan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate?
propan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate has a molecular weight of 305.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate is sourced from PubChem (CID 70538271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).