1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine

C14H13FN4S — CID 60836387

IUPAC1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
SMILESNC1(c2ncc(-c3nc4cc(F)ccc4s3)[nH]2)CCC1
InChIInChI=1S/C14H13FN4S/c15-8-2-3-11-9(6-8)18-12(20-11)10-7-17-13(19-10)14(16)4-1-5-14/h2-3,6-7H,1,4-5,16H2,(H,17,19)
InChIKeyWWBGCANMFCLUKR-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.16
Rot. Bonds2

About 1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine

1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine (PubChem CID 60836387) has the molecular formula C14H13FN4S and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
PubChem CID60836387
Molecular FormulaC14H13FN4S
Molecular Weight288.35 g/mol
Exact Mass288.08
IUPAC Name1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
SMILESNC1(c2ncc(-c3nc4cc(F)ccc4s3)[nH]2)CCC1
InChIInChI=1S/C14H13FN4S/c15-8-2-3-11-9(6-8)18-12(20-11)10-7-17-13(19-10)14(16)4-1-5-14/h2-3,6-7H,1,4-5,16H2,(H,17,19)
InChIKeyWWBGCANMFCLUKR-UHFFFAOYSA-N
XLogP3.16
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine 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-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine (CID 60836387) is 1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine is NC1(c2ncc(-c3nc4cc(F)ccc4s3)[nH]2)CCC1.
What is the InChIKey of 1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The InChIKey is WWBGCANMFCLUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4S/c15-8-2-3-11-9(6-8)18-12(20-11)10-7-17-13(19-10)14(16)4-1-5-14/h2-3,6-7H,1,4-5,16H2,(H,17,19).
What are the key properties of 1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine has a molecular weight of 288.35 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 60836387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).