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

C7H8N4OS — CID 134589351

IUPAC1-(2-methoxy-1,3-thiazol-5-yl)pyrazol-3-amine
SMILESCOc1ncc(-n2ccc(N)n2)s1
InChIInChI=1S/C7H8N4OS/c1-12-7-9-4-6(13-7)11-3-2-5(8)10-11/h2-4H,1H3,(H2,8,10)
InChIKeyHBNWGZYIKOIVTC-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.92
Rot. Bonds2

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

1-(2-methoxy-1,3-thiazol-5-yl)pyrazol-3-amine (PubChem CID 134589351) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 1-(2-methoxy-1,3-thiazol-5-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-methoxy-1,3-thiazol-5-yl)pyrazol-3-amine
PubChem CID134589351
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name1-(2-methoxy-1,3-thiazol-5-yl)pyrazol-3-amine
SMILESCOc1ncc(-n2ccc(N)n2)s1
InChIInChI=1S/C7H8N4OS/c1-12-7-9-4-6(13-7)11-3-2-5(8)10-11/h2-4H,1H3,(H2,8,10)
InChIKeyHBNWGZYIKOIVTC-UHFFFAOYSA-N
XLogP0.92
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-1,3-thiazol-5-yl)pyrazol-3-amine?
The IUPAC name of 1-(2-methoxy-1,3-thiazol-5-yl)pyrazol-3-amine (CID 134589351) is 1-(2-methoxy-1,3-thiazol-5-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(2-methoxy-1,3-thiazol-5-yl)pyrazol-3-amine?
The canonical SMILES for 1-(2-methoxy-1,3-thiazol-5-yl)pyrazol-3-amine is COc1ncc(-n2ccc(N)n2)s1.
What is the InChIKey of 1-(2-methoxy-1,3-thiazol-5-yl)pyrazol-3-amine?
The InChIKey is HBNWGZYIKOIVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-12-7-9-4-6(13-7)11-3-2-5(8)10-11/h2-4H,1H3,(H2,8,10).
What are the key properties of 1-(2-methoxy-1,3-thiazol-5-yl)pyrazol-3-amine?
1-(2-methoxy-1,3-thiazol-5-yl)pyrazol-3-amine has a molecular weight of 196.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-1,3-thiazol-5-yl)pyrazol-3-amine is sourced from PubChem (CID 134589351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).