5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine

C9H12N4OS — CID 116811786

IUPAC5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCOc1c(-c2cnc(N)s2)c(C)nn1C
InChIInChI=1S/C9H12N4OS/c1-5-7(6-4-11-9(10)15-6)8(14-3)13(2)12-5/h4H,1-3H3,(H2,10,11)
InChIKeyPWNGZCNUEYLQQQ-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.44
Rot. Bonds2

About 5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine

5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 116811786) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID116811786
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCOc1c(-c2cnc(N)s2)c(C)nn1C
InChIInChI=1S/C9H12N4OS/c1-5-7(6-4-11-9(10)15-6)8(14-3)13(2)12-5/h4H,1-3H3,(H2,10,11)
InChIKeyPWNGZCNUEYLQQQ-UHFFFAOYSA-N
XLogP1.44
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine (CID 116811786) is 5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine is COc1c(-c2cnc(N)s2)c(C)nn1C.
What is the InChIKey of 5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is PWNGZCNUEYLQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-5-7(6-4-11-9(10)15-6)8(14-3)13(2)12-5/h4H,1-3H3,(H2,10,11).
What are the key properties of 5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine?
5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 224.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 116811786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).