N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide

C18H14N4OS — CID 55752794

IUPACN-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccccc3s2)nn1-c1ccccc1
InChIInChI=1S/C18H14N4OS/c1-12-11-15(21-22(12)13-7-3-2-4-8-13)17(23)20-18-19-14-9-5-6-10-16(14)24-18/h2-11H,1H3,(H,19,20,23)
InChIKeyHEXMQLDIRADWDC-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.04
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide

N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 55752794) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID55752794
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccccc3s2)nn1-c1ccccc1
InChIInChI=1S/C18H14N4OS/c1-12-11-15(21-22(12)13-7-3-2-4-8-13)17(23)20-18-19-14-9-5-6-10-16(14)24-18/h2-11H,1H3,(H,19,20,23)
InChIKeyHEXMQLDIRADWDC-UHFFFAOYSA-N
XLogP4.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide
CID 139231633
N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 16952689
6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 43558353
5-methyl-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide
CID 55824810
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
3,5-diacetamido-N-(1,3-benzothiazol-2-yl)benzamide
CID 35997967
N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide
CID 52694546
methyl 4-[2-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 55759029
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide
CID 75537668
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 27668271
N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71684163

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide (CID 55752794) is N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3ccccc3s2)nn1-c1ccccc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is HEXMQLDIRADWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-12-11-15(21-22(12)13-7-3-2-4-8-13)17(23)20-18-19-14-9-5-6-10-16(14)24-18/h2-11H,1H3,(H,19,20,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 4.04, 3 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-yl)-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55752794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).