[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate

C16H19NO3S — CID 2814902

IUPAC[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
SMILESCOc1ccc(-c2csc(COC(=O)C(C)(C)C)n2)cc1
InChIInChI=1S/C16H19NO3S/c1-16(2,3)15(18)20-9-14-17-13(10-21-14)11-5-7-12(19-4)8-6-11/h5-8,10H,9H2,1-4H3
InChIKeyQQULOSJCIASIMO-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.91
Rot. Bonds4

About [4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate

[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 2814902) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID2814902
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
SMILESCOc1ccc(-c2csc(COC(=O)C(C)(C)C)n2)cc1
InChIInChI=1S/C16H19NO3S/c1-16(2,3)15(18)20-9-14-17-13(10-21-14)11-5-7-12(19-4)8-6-11/h5-8,10H,9H2,1-4H3
InChIKeyQQULOSJCIASIMO-UHFFFAOYSA-N
XLogP3.91
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate (CID 2814902) is [4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate is COc1ccc(-c2csc(COC(=O)C(C)(C)C)n2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is QQULOSJCIASIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-16(2,3)15(18)20-9-14-17-13(10-21-14)11-5-7-12(19-4)8-6-11/h5-8,10H,9H2,1-4H3.
What are the key properties of [4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 305.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 2814902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).