1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide

C19H15FN4OS — CID 129031689

IUPAC1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(F)ccc1CNC(=O)c1cnn(-c2nc3ccccc3s2)c1
InChIInChI=1S/C19H15FN4OS/c1-12-8-15(20)7-6-13(12)9-21-18(25)14-10-22-24(11-14)19-23-16-4-2-3-5-17(16)26-19/h2-8,10-11H,9H2,1H3,(H,21,25)
InChIKeyDWDHRHDDBXSMIT-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.86
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide

1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 129031689) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID129031689
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(F)ccc1CNC(=O)c1cnn(-c2nc3ccccc3s2)c1
InChIInChI=1S/C19H15FN4OS/c1-12-8-15(20)7-6-13(12)9-21-18(25)14-10-22-24(11-14)19-23-16-4-2-3-5-17(16)26-19/h2-8,10-11H,9H2,1H3,(H,21,25)
InChIKeyDWDHRHDDBXSMIT-UHFFFAOYSA-N
XLogP3.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-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 1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide (CID 129031689) is 1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide is Cc1cc(F)ccc1CNC(=O)c1cnn(-c2nc3ccccc3s2)c1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is DWDHRHDDBXSMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS/c1-12-8-15(20)7-6-13(12)9-21-18(25)14-10-22-24(11-14)19-23-16-4-2-3-5-17(16)26-19/h2-8,10-11H,9H2,1H3,(H,21,25).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide?
1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129031689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).