N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide

C20H18N4O3S — CID 135785285

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cc(-c4ccc(C)cc4O)n[nH]3)sc2c1
InChIInChI=1S/C20H18N4O3S/c1-3-27-12-5-7-14-18(9-12)28-20(21-14)22-19(26)16-10-15(23-24-16)13-6-4-11(2)8-17(13)25/h4-10,25H,3H2,1-2H3,(H,23,24)(H,21,22,26)
InChIKeyUSGHOWBGAOOMPW-UHFFFAOYSA-N
MW394.46 g/mol
LogP4.35
Rot. Bonds5

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 135785285) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID135785285
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cc(-c4ccc(C)cc4O)n[nH]3)sc2c1
InChIInChI=1S/C20H18N4O3S/c1-3-27-12-5-7-14-18(9-12)28-20(21-14)22-19(26)16-10-15(23-24-16)13-6-4-11(2)8-17(13)25/h4-10,25H,3H2,1-2H3,(H,23,24)(H,21,22,26)
InChIKeyUSGHOWBGAOOMPW-UHFFFAOYSA-N
XLogP4.35
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 3704578
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
CID 19213723
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 38429837
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 17026851

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 135785285) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide is CCOc1ccc2nc(NC(=O)c3cc(-c4ccc(C)cc4O)n[nH]3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is USGHOWBGAOOMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-3-27-12-5-7-14-18(9-12)28-20(21-14)22-19(26)16-10-15(23-24-16)13-6-4-11(2)8-17(13)25/h4-10,25H,3H2,1-2H3,(H,23,24)(H,21,22,26).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135785285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).