3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol

C11H18N2OS — CID 115697275

IUPAC3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
SMILESOCCCNCc1cnc(C2CCC2)s1
InChIInChI=1S/C11H18N2OS/c14-6-2-5-12-7-10-8-13-11(15-10)9-3-1-4-9/h8-9,12,14H,1-7H2
InChIKeyFTPJJMKLCRFHAV-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.88
Rot. Bonds6

About 3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol

3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol (PubChem CID 115697275) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
PubChem CID115697275
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
SMILESOCCCNCc1cnc(C2CCC2)s1
InChIInChI=1S/C11H18N2OS/c14-6-2-5-12-7-10-8-13-11(15-10)9-3-1-4-9/h8-9,12,14H,1-7H2
InChIKeyFTPJJMKLCRFHAV-UHFFFAOYSA-N
XLogP1.88
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
The IUPAC name of 3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol (CID 115697275) is 3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol is OCCCNCc1cnc(C2CCC2)s1.
What is the InChIKey of 3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
The InChIKey is FTPJJMKLCRFHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c14-6-2-5-12-7-10-8-13-11(15-10)9-3-1-4-9/h8-9,12,14H,1-7H2.
What are the key properties of 3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 115697275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).