6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide

C21H22N4O2S — CID 86852038

IUPAC6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc3c(s2)CC(c2ccccc2)CC3)ccc1=O
InChIInChI=1S/C21H22N4O2S/c1-2-12-25-19(26)11-10-17(24-25)20(27)23-21-22-16-9-8-15(13-18(16)28-21)14-6-4-3-5-7-14/h3-7,10-11,15H,2,8-9,12-13H2,1H3,(H,22,23,27)
InChIKeyFVTSKGOCSLNCSG-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.63
Rot. Bonds5

About 6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide

6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide (PubChem CID 86852038) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide
PubChem CID86852038
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc3c(s2)CC(c2ccccc2)CC3)ccc1=O
InChIInChI=1S/C21H22N4O2S/c1-2-12-25-19(26)11-10-17(24-25)20(27)23-21-22-16-9-8-15(13-18(16)28-21)14-6-4-3-5-7-14/h3-7,10-11,15H,2,8-9,12-13H2,1H3,(H,22,23,27)
InChIKeyFVTSKGOCSLNCSG-UHFFFAOYSA-N
XLogP3.63
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide with MolForge

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Related Compounds

2-acetamido-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 95588654
N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide
CID 60596854
3,6-dichloro-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 60596740
1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 2482039
cis-(1S,2R)-2-methyl-N-[(6S)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 100850122
4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
CID 120561536
3-methyl-5-(methylamino)-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-thiazole-4-carboxamide
CID 56799690
2-(cyclopropylmethoxy)-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71884311
2-amino-3-methoxy-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 120987782
N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide
CID 75510344
2-methyl-5-nitro-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 60596518
N-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 63472248

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide (CID 86852038) is 6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2nc3c(s2)CC(c2ccccc2)CC3)ccc1=O.
What is the InChIKey of 6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide?
The InChIKey is FVTSKGOCSLNCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-2-12-25-19(26)11-10-17(24-25)20(27)23-21-22-16-9-8-15(13-18(16)28-21)14-6-4-3-5-7-14/h3-7,10-11,15H,2,8-9,12-13H2,1H3,(H,22,23,27).
What are the key properties of 6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide?
6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 86852038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).