4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine

C11H12N6S — CID 114402011

IUPAC4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCc2nc3ncncc3[nH]2)cs1
InChIInChI=1S/C11H12N6S/c12-11-15-7(5-18-11)2-1-3-9-16-8-4-13-6-14-10(8)17-9/h4-6H,1-3H2,(H2,12,15)(H,13,14,16,17)
InChIKeyPCCONQVIIGXHBA-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.57
Rot. Bonds4

About 4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine

4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine (PubChem CID 114402011) has the molecular formula C11H12N6S and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine
PubChem CID114402011
Molecular FormulaC11H12N6S
Molecular Weight260.33 g/mol
Exact Mass260.08
IUPAC Name4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCc2nc3ncncc3[nH]2)cs1
InChIInChI=1S/C11H12N6S/c12-11-15-7(5-18-11)2-1-3-9-16-8-4-13-6-14-10(8)17-9/h4-6H,1-3H2,(H2,12,15)(H,13,14,16,17)
InChIKeyPCCONQVIIGXHBA-UHFFFAOYSA-N
XLogP1.57
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine (CID 114402011) is 4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine is Nc1nc(CCCc2nc3ncncc3[nH]2)cs1.
What is the InChIKey of 4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine?
The InChIKey is PCCONQVIIGXHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6S/c12-11-15-7(5-18-11)2-1-3-9-16-8-4-13-6-14-10(8)17-9/h4-6H,1-3H2,(H2,12,15)(H,13,14,16,17).
What are the key properties of 4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine?
4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine has a molecular weight of 260.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(7H-purin-8-yl)propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 114402011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).