6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine

C15H10FN5S — CID 166264277

IUPAC6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(Nc3cnn(-c4ccncc4)c3)sc2c1
InChIInChI=1S/C15H10FN5S/c16-10-1-2-13-14(7-10)22-15(20-13)19-11-8-18-21(9-11)12-3-5-17-6-4-12/h1-9H,(H,19,20)
InChIKeyOAVLDTXTCSXEAO-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.76
Rot. Bonds3

About 6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine

6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 166264277) has the molecular formula C15H10FN5S and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine
PubChem CID166264277
Molecular FormulaC15H10FN5S
Molecular Weight311.35 g/mol
Exact Mass311.06
IUPAC Name6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(Nc3cnn(-c4ccncc4)c3)sc2c1
InChIInChI=1S/C15H10FN5S/c16-10-1-2-13-14(7-10)22-15(20-13)19-11-8-18-21(9-11)12-3-5-17-6-4-12/h1-9H,(H,19,20)
InChIKeyOAVLDTXTCSXEAO-UHFFFAOYSA-N
XLogP3.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-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

Related Compounds

5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 166272924
6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine
CID 79144359
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 79143632
N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143552
4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid
CID 7147094
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7109952
N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143566
N-(4-bromo-2,5-difluorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 107614018
6-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79143650
6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 114222809

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine (CID 166264277) is 6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine is Fc1ccc2nc(Nc3cnn(-c4ccncc4)c3)sc2c1.
What is the InChIKey of 6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is OAVLDTXTCSXEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5S/c16-10-1-2-13-14(7-10)22-15(20-13)19-11-8-18-21(9-11)12-3-5-17-6-4-12/h1-9H,(H,19,20).
What are the key properties of 6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 311.35 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 166264277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).