N-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide

C18H13FN4OS — CID 46879804

IUPACN-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1nc2ccc(-c3cn[nH]c3)cc2s1
InChIInChI=1S/C18H13FN4OS/c19-14-3-1-2-11(6-14)8-20-17(24)18-23-15-5-4-12(7-16(15)25-18)13-9-21-22-10-13/h1-7,9-10H,8H2,(H,20,24)(H,21,22)
InChIKeyAFGOIFQBIQFJEG-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.76
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide

N-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide (PubChem CID 46879804) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide
PubChem CID46879804
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC NameN-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1nc2ccc(-c3cn[nH]c3)cc2s1
InChIInChI=1S/C18H13FN4OS/c19-14-3-1-2-11(6-14)8-20-17(24)18-23-15-5-4-12(7-16(15)25-18)13-9-21-22-10-13/h1-7,9-10H,8H2,(H,20,24)(H,21,22)
InChIKeyAFGOIFQBIQFJEG-UHFFFAOYSA-N
XLogP3.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide 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-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide (CID 46879804) is N-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide is O=C(NCc1cccc(F)c1)c1nc2ccc(-c3cn[nH]c3)cc2s1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is AFGOIFQBIQFJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c19-14-3-1-2-11(6-14)8-20-17(24)18-23-15-5-4-12(7-16(15)25-18)13-9-21-22-10-13/h1-7,9-10H,8H2,(H,20,24)(H,21,22).
What are the key properties of N-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide?
N-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 46879804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).