N-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-amine

C15H16FN5S — CID 166242177

IUPACN-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1c(F)ccc2sc(NCc3cn(C4CCC4)nn3)nc12
InChIInChI=1S/C15H16FN5S/c1-9-12(16)5-6-13-14(9)18-15(22-13)17-7-10-8-21(20-19-10)11-3-2-4-11/h5-6,8,11H,2-4,7H2,1H3,(H,17,18)
InChIKeyQQMSFILRLZIOBX-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.67
Rot. Bonds4

About N-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-amine

N-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 166242177) has the molecular formula C15H16FN5S and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-amine
PubChem CID166242177
Molecular FormulaC15H16FN5S
Molecular Weight317.39 g/mol
Exact Mass317.11
IUPAC NameN-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1c(F)ccc2sc(NCc3cn(C4CCC4)nn3)nc12
InChIInChI=1S/C15H16FN5S/c1-9-12(16)5-6-13-14(9)18-15(22-13)17-7-10-8-21(20-19-10)11-3-2-4-11/h5-6,8,11H,2-4,7H2,1H3,(H,17,18)
InChIKeyQQMSFILRLZIOBX-UHFFFAOYSA-N
XLogP3.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-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 N-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-amine (CID 166242177) is N-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-amine is Cc1c(F)ccc2sc(NCc3cn(C4CCC4)nn3)nc12.
What is the InChIKey of N-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is QQMSFILRLZIOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5S/c1-9-12(16)5-6-13-14(9)18-15(22-13)17-7-10-8-21(20-19-10)11-3-2-4-11/h5-6,8,11H,2-4,7H2,1H3,(H,17,18).
What are the key properties of N-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-amine?
N-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 317.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclobutyltriazol-4-yl)methyl]-5-fluoro-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 166242177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).