1,3-dimethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C13H20N4OS — CID 72839282

IUPAC1,3-dimethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCCCC3CCOC3)sc12
InChIInChI=1S/C13H20N4OS/c1-9-11-12(17(2)16-9)15-13(19-11)14-6-3-4-10-5-7-18-8-10/h10H,3-8H2,1-2H3,(H,14,15)
InChIKeyWBXATVFSWAAPIE-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.57
Rot. Bonds5

About 1,3-dimethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72839282) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72839282
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name1,3-dimethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCCCC3CCOC3)sc12
InChIInChI=1S/C13H20N4OS/c1-9-11-12(17(2)16-9)15-13(19-11)14-6-3-4-10-5-7-18-8-10/h10H,3-8H2,1-2H3,(H,14,15)
InChIKeyWBXATVFSWAAPIE-UHFFFAOYSA-N
XLogP2.57
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1,3-dimethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72839282) is 1,3-dimethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NCCCC3CCOC3)sc12.
What is the InChIKey of 1,3-dimethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is WBXATVFSWAAPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-9-11-12(17(2)16-9)15-13(19-11)14-6-3-4-10-5-7-18-8-10/h10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 1,3-dimethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 280.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72839282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).