1-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]ethyl acetate

C10H11N3O2S — CID 174460053

IUPAC1-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]ethyl acetate
SMILESCC(=O)OC(C)c1ccnn1-c1nccs1
InChIInChI=1S/C10H11N3O2S/c1-7(15-8(2)14)9-3-4-12-13(9)10-11-5-6-16-10/h3-7H,1-2H3
InChIKeyIGSJSUFGSWOKML-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.95
Rot. Bonds3

About 1-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]ethyl acetate

1-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]ethyl acetate (PubChem CID 174460053) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]ethyl acetate.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]ethyl acetate
PubChem CID174460053
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name1-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]ethyl acetate
SMILESCC(=O)OC(C)c1ccnn1-c1nccs1
InChIInChI=1S/C10H11N3O2S/c1-7(15-8(2)14)9-3-4-12-13(9)10-11-5-6-16-10/h3-7H,1-2H3
InChIKeyIGSJSUFGSWOKML-UHFFFAOYSA-N
XLogP1.95
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-thiazol-2-yl)pyrazol-3-amine
CID 82879868
2-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxylic acid
CID 168950769
propan-2-yl 5-amino-1-(1,3-thiazol-2-yl)triazole-4-carboxylate
CID 82220971
[(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate
CID 763099
5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid
CID 176658912
3-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-methylpropanoic acid
CID 82878908
acetic acid;2-chloro-1,3-thiazole
CID 162318413
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate
CID 14051868
1-thiophen-3-ylethyl acetate
CID 59753762
1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone
CID 118447244
[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806748

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]ethyl acetate?
The IUPAC name of 1-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]ethyl acetate (CID 174460053) is 1-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]ethyl acetate.
What is the SMILES notation for 1-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]ethyl acetate?
The canonical SMILES for 1-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]ethyl acetate is CC(=O)OC(C)c1ccnn1-c1nccs1.
What is the InChIKey of 1-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]ethyl acetate?
The InChIKey is IGSJSUFGSWOKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-7(15-8(2)14)9-3-4-12-13(9)10-11-5-6-16-10/h3-7H,1-2H3.
What are the key properties of 1-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]ethyl acetate?
1-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]ethyl acetate has a molecular weight of 237.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]ethyl acetate is sourced from PubChem (CID 174460053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).