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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 115697267
(3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 103854799
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115698880
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 115699018
[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]cyclopropyl]methanol
CID 115763054
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64984724
1-(2-cyclopentyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 61281926
3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-2-phenylpropan-1-ol
CID 75380822
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 115698941
N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65412985
3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 110879669
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine
CID 115698948

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).