2-(1-methylpyrazol-4-yl)ethyl 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxylate

C19H21N3O3S — CID 75421157

IUPAC2-(1-methylpyrazol-4-yl)ethyl 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCC(C)Oc1ccc(-c2nc(C(=O)OCCc3cnn(C)c3)cs2)cc1
InChIInChI=1S/C19H21N3O3S/c1-13(2)25-16-6-4-15(5-7-16)18-21-17(12-26-18)19(23)24-9-8-14-10-20-22(3)11-14/h4-7,10-13H,8-9H2,1-3H3
InChIKeyNJUWQLHXKMAWTC-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.73
Rot. Bonds7

About 2-(1-methylpyrazol-4-yl)ethyl 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxylate

2-(1-methylpyrazol-4-yl)ethyl 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 75421157) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)ethyl 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)ethyl 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID75421157
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-(1-methylpyrazol-4-yl)ethyl 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCC(C)Oc1ccc(-c2nc(C(=O)OCCc3cnn(C)c3)cs2)cc1
InChIInChI=1S/C19H21N3O3S/c1-13(2)25-16-6-4-15(5-7-16)18-21-17(12-26-18)19(23)24-9-8-14-10-20-22(3)11-14/h4-7,10-13H,8-9H2,1-3H3
InChIKeyNJUWQLHXKMAWTC-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)ethyl 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-(1-methylpyrazol-4-yl)ethyl 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxylate (CID 75421157) is 2-(1-methylpyrazol-4-yl)ethyl 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)ethyl 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)ethyl 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxylate is CC(C)Oc1ccc(-c2nc(C(=O)OCCc3cnn(C)c3)cs2)cc1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)ethyl 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is NJUWQLHXKMAWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13(2)25-16-6-4-15(5-7-16)18-21-17(12-26-18)19(23)24-9-8-14-10-20-22(3)11-14/h4-7,10-13H,8-9H2,1-3H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)ethyl 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxylate?
2-(1-methylpyrazol-4-yl)ethyl 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 371.46 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)ethyl 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 75421157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).