N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide

C18H14N4OS — CID 24543290

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H14N4OS/c23-18(13-10-20-22(12-13)14-6-2-1-3-7-14)19-11-17-21-15-8-4-5-9-16(15)24-17/h1-10,12H,11H2,(H,19,23)
InChIKeyUOZNOMAKLBBJCS-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.41
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 24543290) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
PubChem CID24543290
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H14N4OS/c23-18(13-10-20-22(12-13)14-6-2-1-3-7-14)19-11-17-21-15-8-4-5-9-16(15)24-17/h1-10,12H,11H2,(H,19,23)
InChIKeyUOZNOMAKLBBJCS-UHFFFAOYSA-N
XLogP3.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-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

Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromophenyl)pyrazole-4-carboxamide
CID 55773919
N-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 18151941
N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 78851836
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 86836292
1-(1,3-benzothiazol-2-yl)-N-[(3,5-difluorophenyl)methyl]pyrazole-4-carboxamide
CID 129051251
N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 38283803
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55758358
N-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31848361
N-(1,3-benzothiazol-2-ylmethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 38284507
N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 9034607
1-(1,3-benzothiazol-2-yl)-N-[[2-(4-methylphenyl)phenyl]methyl]pyrazole-4-carboxamide
CID 129050602
1-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-2-methylphenyl)methyl]pyrazole-4-carboxamide
CID 129031689

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide (CID 24543290) is N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide is O=C(NCc1nc2ccccc2s1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is UOZNOMAKLBBJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c23-18(13-10-20-22(12-13)14-6-2-1-3-7-14)19-11-17-21-15-8-4-5-9-16(15)24-17/h1-10,12H,11H2,(H,19,23).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 24543290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).