N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide

C19H16N6O2S — CID 24684526

IUPACN'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide
SMILESO=C(CNc1nc2ccccc2s1)NNC(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H16N6O2S/c26-16(11-20-19-22-14-8-4-5-9-15(14)28-19)23-25-18(27)13-10-21-24-17(13)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,22)(H,21,24)(H,23,26)(H,25,27)
InChIKeyFDKCWAYWGMJBDK-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.56
Rot. Bonds5

About N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide

N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide (PubChem CID 24684526) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide
PubChem CID24684526
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC NameN'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide
SMILESO=C(CNc1nc2ccccc2s1)NNC(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H16N6O2S/c26-16(11-20-19-22-14-8-4-5-9-15(14)28-19)23-25-18(27)13-10-21-24-17(13)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,22)(H,21,24)(H,23,26)(H,25,27)
InChIKeyFDKCWAYWGMJBDK-UHFFFAOYSA-N
XLogP2.56
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide
CID 16580026
N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide
CID 16580030
N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3-methoxy-4-methylbenzohydrazide
CID 18280901
5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 45482651
2-(1,3-benzothiazol-2-ylamino)-N-(pentan-3-ylideneamino)acetamide
CID 9030710
5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide
CID 55497230
2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide
CID 113219085
N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3-(methoxymethyl)-1-benzofuran-2-carbohydrazide
CID 16613209
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135771298
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 136842706
1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(3-ethylphenyl)thiourea
CID 8562806

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide?
The IUPAC name of N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide (CID 24684526) is N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide is O=C(CNc1nc2ccccc2s1)NNC(=O)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide?
The InChIKey is FDKCWAYWGMJBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c26-16(11-20-19-22-14-8-4-5-9-15(14)28-19)23-25-18(27)13-10-21-24-17(13)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,22)(H,21,24)(H,23,26)(H,25,27).
What are the key properties of N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide?
N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide has a molecular weight of 392.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 24684526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).