N-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide

C19H14N4O2S — CID 31848361

IUPACN-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C19H14N4O2S/c24-18-11-10-15(22-23(18)13-6-2-1-3-7-13)19(25)20-12-17-21-14-8-4-5-9-16(14)26-17/h1-11H,12H2,(H,20,25)
InChIKeyVJMHTPYHGLEFOB-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.77
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 31848361) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID31848361
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C19H14N4O2S/c24-18-11-10-15(22-23(18)13-6-2-1-3-7-13)19(25)20-12-17-21-14-8-4-5-9-16(14)26-17/h1-11H,12H2,(H,20,25)
InChIKeyVJMHTPYHGLEFOB-UHFFFAOYSA-N
XLogP2.77
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 24543290
N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
CID 47098657
N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 38283803
N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide
CID 11637801
N-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 18151941
N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide
CID 18110672
N-[[4-(4-fluorophenoxy)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31966495
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide
CID 18110635
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-(1,3-benzothiazol-2-ylmethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 38284507
N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 120653747
N-(1,3-benzothiazol-2-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 38135979

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide (CID 31848361) is N-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide is O=C(NCc1nc2ccccc2s1)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is VJMHTPYHGLEFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c24-18-11-10-15(22-23(18)13-6-2-1-3-7-13)19(25)20-12-17-21-14-8-4-5-9-16(14)26-17/h1-11H,12H2,(H,20,25).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 31848361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).