ethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate

C11H14N4O2S — CID 80575034

IUPACethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2ccnn2C)n1
InChIInChI=1S/C11H14N4O2S/c1-3-17-10(16)6-8-7-18-11(13-8)14-9-4-5-12-15(9)2/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyDSGIAXUODLBEIG-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.73
Rot. Bonds5

About ethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80575034) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is ethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80575034
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Nameethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2ccnn2C)n1
InChIInChI=1S/C11H14N4O2S/c1-3-17-10(16)6-8-7-18-11(13-8)14-9-4-5-12-15(9)2/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyDSGIAXUODLBEIG-UHFFFAOYSA-N
XLogP1.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 80574072
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]acetate
CID 84564759
ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate
CID 80575413
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428
ethyl 2-[2-(3-fluoro-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80576631
ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate
CID 80574423
ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 107810524
ethyl 2-[2-(3,4,5-trifluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574528
ethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate
CID 106760974
ethyl 2-[2-[(1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19474564
ethyl 2-[2-(2,3-difluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574749

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate (CID 80575034) is ethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(Nc2ccnn2C)n1.
What is the InChIKey of ethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is DSGIAXUODLBEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-3-17-10(16)6-8-7-18-11(13-8)14-9-4-5-12-15(9)2/h4-5,7H,3,6H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 266.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).