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

C15H16ClNO2S — CID 2726646

IUPAC[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H16ClNO2S/c1-15(2,3)14(18)19-8-13-17-12(9-20-13)10-4-6-11(16)7-5-10/h4-7,9H,8H2,1-3H3
InChIKeyCZGQAAPRJNKZGS-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.55
Rot. Bonds3

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

[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 2726646) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID2726646
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H16ClNO2S/c1-15(2,3)14(18)19-8-13-17-12(9-20-13)10-4-6-11(16)7-5-10/h4-7,9H,8H2,1-3H3
InChIKeyCZGQAAPRJNKZGS-UHFFFAOYSA-N
XLogP4.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate (CID 2726646) is [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is CZGQAAPRJNKZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-15(2,3)14(18)19-8-13-17-12(9-20-13)10-4-6-11(16)7-5-10/h4-7,9H,8H2,1-3H3.
What are the key properties of [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 309.82 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 2726646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).