1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-1-ol

C8H12N2OS — CID 86247499

IUPAC1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-1-ol
SMILESNc1nc(CC2(O)CCC2)cs1
InChIInChI=1S/C8H12N2OS/c9-7-10-6(5-12-7)4-8(11)2-1-3-8/h5,11H,1-4H2,(H2,9,10)
InChIKeyFYAJYVZLMJFKRO-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.18
Rot. Bonds2

About 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-1-ol

1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-1-ol (PubChem CID 86247499) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-1-ol
PubChem CID86247499
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-1-ol
SMILESNc1nc(CC2(O)CCC2)cs1
InChIInChI=1S/C8H12N2OS/c9-7-10-6(5-12-7)4-8(11)2-1-3-8/h5,11H,1-4H2,(H2,9,10)
InChIKeyFYAJYVZLMJFKRO-UHFFFAOYSA-N
XLogP1.18
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-1-ol (CID 86247499) is 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-1-ol is Nc1nc(CC2(O)CCC2)cs1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-1-ol?
The InChIKey is FYAJYVZLMJFKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c9-7-10-6(5-12-7)4-8(11)2-1-3-8/h5,11H,1-4H2,(H2,9,10).
What are the key properties of 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-1-ol?
1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-1-ol has a molecular weight of 184.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 86247499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).