2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone

C9H10N4OS — CID 116575594

IUPAC2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone
SMILESCn1nccc1C(=O)Cc1csc(N)n1
InChIInChI=1S/C9H10N4OS/c1-13-7(2-3-11-13)8(14)4-6-5-15-9(10)12-6/h2-3,5H,4H2,1H3,(H2,10,12)
InChIKeyYRERLRVXSHRVRS-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.88
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone

2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone (PubChem CID 116575594) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone
PubChem CID116575594
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone
SMILESCn1nccc1C(=O)Cc1csc(N)n1
InChIInChI=1S/C9H10N4OS/c1-13-7(2-3-11-13)8(14)4-6-5-15-9(10)12-6/h2-3,5H,4H2,1H3,(H2,10,12)
InChIKeyYRERLRVXSHRVRS-UHFFFAOYSA-N
XLogP0.88
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone (CID 116575594) is 2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone is Cn1nccc1C(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone?
The InChIKey is YRERLRVXSHRVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-13-7(2-3-11-13)8(14)4-6-5-15-9(10)12-6/h2-3,5H,4H2,1H3,(H2,10,12).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone?
2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone has a molecular weight of 222.27 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-1-(2-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 116575594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).