[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate

C19H21N3O3S — CID 55562159

IUPAC[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
SMILESCOc1ccccc1-c1nc(COC(=O)CCn2nc(C)cc2C)cs1
InChIInChI=1S/C19H21N3O3S/c1-13-10-14(2)22(21-13)9-8-18(23)25-11-15-12-26-19(20-15)16-6-4-5-7-17(16)24-3/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyOQWHCYHBEPKANW-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.77
Rot. Bonds7

About [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate

[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate (PubChem CID 55562159) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
PubChem CID55562159
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
SMILESCOc1ccccc1-c1nc(COC(=O)CCn2nc(C)cc2C)cs1
InChIInChI=1S/C19H21N3O3S/c1-13-10-14(2)22(21-13)9-8-18(23)25-11-15-12-26-19(20-15)16-6-4-5-7-17(16)24-3/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyOQWHCYHBEPKANW-UHFFFAOYSA-N
XLogP3.77
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The IUPAC name of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate (CID 55562159) is [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate.
What is the SMILES notation for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The canonical SMILES for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate is COc1ccccc1-c1nc(COC(=O)CCn2nc(C)cc2C)cs1.
What is the InChIKey of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The InChIKey is OQWHCYHBEPKANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-10-14(2)22(21-13)9-8-18(23)25-11-15-12-26-19(20-15)16-6-4-5-7-17(16)24-3/h4-7,10,12H,8-9,11H2,1-3H3.
What are the key properties of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate?
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate has a molecular weight of 371.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate is sourced from PubChem (CID 55562159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).