6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide

C23H21N5OS — CID 133313359

IUPAC6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCC(c3nc4ccccc4s3)CC2)nn1
InChIInChI=1S/C23H21N5OS/c29-22(24-17-6-2-1-3-7-17)19-10-11-21(27-26-19)28-14-12-16(13-15-28)23-25-18-8-4-5-9-20(18)30-23/h1-11,16H,12-15H2,(H,24,29)
InChIKeyMFIRQFTWXAEPOZ-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.72
Rot. Bonds4

About 6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide

6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide (PubChem CID 133313359) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is 6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
PubChem CID133313359
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCC(c3nc4ccccc4s3)CC2)nn1
InChIInChI=1S/C23H21N5OS/c29-22(24-17-6-2-1-3-7-17)19-10-11-21(27-26-19)28-14-12-16(13-15-28)23-25-18-8-4-5-9-20(18)30-23/h1-11,16H,12-15H2,(H,24,29)
InChIKeyMFIRQFTWXAEPOZ-UHFFFAOYSA-N
XLogP4.72
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(1H-indol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313623
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313205
6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313221
1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122051199
6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 136540496
6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313984
(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide
CID 9336787
6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
CID 11950710
N-(1,3-benzothiazol-2-yl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
CID 39088463
6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211
6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313945

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide (CID 133313359) is 6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(N2CCC(c3nc4ccccc4s3)CC2)nn1.
What is the InChIKey of 6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide?
The InChIKey is MFIRQFTWXAEPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c29-22(24-17-6-2-1-3-7-17)19-10-11-21(27-26-19)28-14-12-16(13-15-28)23-25-18-8-4-5-9-20(18)30-23/h1-11,16H,12-15H2,(H,24,29).
What are the key properties of 6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide?
6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133313359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).