1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide

C19H16N4O2S — CID 24564587

IUPAC1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3cnn(Cc4ccccc4)c3)nc12
InChIInChI=1S/C19H16N4O2S/c1-25-15-8-5-9-16-17(15)21-19(26-16)22-18(24)14-10-20-23(12-14)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,21,22,24)
InChIKeySBQIMLQQPHYWGZ-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.80
Rot. Bonds5

About 1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide

1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 24564587) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
PubChem CID24564587
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3cnn(Cc4ccccc4)c3)nc12
InChIInChI=1S/C19H16N4O2S/c1-25-15-8-5-9-16-17(15)21-19(26-16)22-18(24)14-10-20-23(12-14)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,21,22,24)
InChIKeySBQIMLQQPHYWGZ-UHFFFAOYSA-N
XLogP3.80
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 18132563
2-[4-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500585
1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
1-benzyl-N-(4-fluoro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 32610344
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 24586156
3-[4-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471204
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide
CID 17432386
1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide
CID 86996428
1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29370263
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide (CID 24564587) is 1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide is COc1cccc2sc(NC(=O)c3cnn(Cc4ccccc4)c3)nc12.
What is the InChIKey of 1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is SBQIMLQQPHYWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-25-15-8-5-9-16-17(15)21-19(26-16)22-18(24)14-10-20-23(12-14)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,21,22,24).
What are the key properties of 1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 24564587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).