4-[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-1,3-thiazol-2-amine

C13H16N6S — CID 56908202

IUPAC4-[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-1,3-thiazol-2-amine
SMILESCc1cc(NCCCc2csc(N)n2)n2nccc2n1
InChIInChI=1S/C13H16N6S/c1-9-7-12(19-11(17-9)4-6-16-19)15-5-2-3-10-8-20-13(14)18-10/h4,6-8,15H,2-3,5H2,1H3,(H2,14,18)
InChIKeyROSDTXUMJQQNEJ-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.12
Rot. Bonds5

About 4-[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-1,3-thiazol-2-amine

4-[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-1,3-thiazol-2-amine (PubChem CID 56908202) has the molecular formula C13H16N6S and a molecular weight of 288.38 g/mol. Its IUPAC name is 4-[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-1,3-thiazol-2-amine
PubChem CID56908202
Molecular FormulaC13H16N6S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC Name4-[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-1,3-thiazol-2-amine
SMILESCc1cc(NCCCc2csc(N)n2)n2nccc2n1
InChIInChI=1S/C13H16N6S/c1-9-7-12(19-11(17-9)4-6-16-19)15-5-2-3-10-8-20-13(14)18-10/h4,6-8,15H,2-3,5H2,1H3,(H2,14,18)
InChIKeyROSDTXUMJQQNEJ-UHFFFAOYSA-N
XLogP2.12
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-1,3-thiazol-2-amine (CID 56908202) is 4-[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-1,3-thiazol-2-amine is Cc1cc(NCCCc2csc(N)n2)n2nccc2n1.
What is the InChIKey of 4-[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-1,3-thiazol-2-amine?
The InChIKey is ROSDTXUMJQQNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S/c1-9-7-12(19-11(17-9)4-6-16-19)15-5-2-3-10-8-20-13(14)18-10/h4,6-8,15H,2-3,5H2,1H3,(H2,14,18).
What are the key properties of 4-[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-1,3-thiazol-2-amine?
4-[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-1,3-thiazol-2-amine has a molecular weight of 288.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 56908202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).