4-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1H-pyrazol-5-amine

C14H12N4OS — CID 79371579

IUPAC4-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1H-pyrazol-5-amine
SMILESCOc1ccc2c(c1)-c1nc(-c3cn[nH]c3N)sc1C2
InChIInChI=1S/C14H12N4OS/c1-19-8-3-2-7-4-11-12(9(7)5-8)17-14(20-11)10-6-16-18-13(10)15/h2-3,5-6H,4H2,1H3,(H3,15,16,18)
InChIKeyPNYRLSVYHWQEJX-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.70
Rot. Bonds2

About 4-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1H-pyrazol-5-amine

4-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1H-pyrazol-5-amine (PubChem CID 79371579) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1H-pyrazol-5-amine
PubChem CID79371579
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name4-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1H-pyrazol-5-amine
SMILESCOc1ccc2c(c1)-c1nc(-c3cn[nH]c3N)sc1C2
InChIInChI=1S/C14H12N4OS/c1-19-8-3-2-7-4-11-12(9(7)5-8)17-14(20-11)10-6-16-18-13(10)15/h2-3,5-6H,4H2,1H3,(H3,15,16,18)
InChIKeyPNYRLSVYHWQEJX-UHFFFAOYSA-N
XLogP2.70
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_B(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1H-pyrazol-5-amine (CID 79371579) is 4-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1H-pyrazol-5-amine is COc1ccc2c(c1)-c1nc(-c3cn[nH]c3N)sc1C2.
What is the InChIKey of 4-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1H-pyrazol-5-amine?
The InChIKey is PNYRLSVYHWQEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-19-8-3-2-7-4-11-12(9(7)5-8)17-14(20-11)10-6-16-18-13(10)15/h2-3,5-6H,4H2,1H3,(H3,15,16,18).
What are the key properties of 4-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1H-pyrazol-5-amine?
4-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1H-pyrazol-5-amine has a molecular weight of 284.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 79371579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).