2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone

C9H9ClN4OS — CID 114669471

IUPAC2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
SMILESCn1ncc(Cl)c1C(=O)Cc1csc(N)n1
InChIInChI=1S/C9H9ClN4OS/c1-14-8(6(10)3-12-14)7(15)2-5-4-16-9(11)13-5/h3-4H,2H2,1H3,(H2,11,13)
InChIKeyWOSZWDTZMVULCE-UHFFFAOYSA-N
MW256.72 g/mol
LogP1.54
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone

2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone (PubChem CID 114669471) has the molecular formula C9H9ClN4OS and a molecular weight of 256.72 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
PubChem CID114669471
Molecular FormulaC9H9ClN4OS
Molecular Weight256.72 g/mol
Exact Mass256.02
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
SMILESCn1ncc(Cl)c1C(=O)Cc1csc(N)n1
InChIInChI=1S/C9H9ClN4OS/c1-14-8(6(10)3-12-14)7(15)2-5-4-16-9(11)13-5/h3-4H,2H2,1H3,(H2,11,13)
InChIKeyWOSZWDTZMVULCE-UHFFFAOYSA-N
XLogP1.54
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 51.54
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-(4-chloro-1-methylpyrazol-5-yl)ethanone?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone (CID 114669471) is 2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone is Cn1ncc(Cl)c1C(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone?
The InChIKey is WOSZWDTZMVULCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS/c1-14-8(6(10)3-12-14)7(15)2-5-4-16-9(11)13-5/h3-4H,2H2,1H3,(H2,11,13).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone?
2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone has a molecular weight of 256.72 g/mol, XLogP of 1.54, 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-(4-chloro-1-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 114669471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).