N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine

C16H17N5S — CID 167960032

IUPACN-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESc1cnnc(N2CCC(Nc3nc4ccccc4s3)CC2)c1
InChIInChI=1S/C16H17N5S/c1-2-5-14-13(4-1)19-16(22-14)18-12-7-10-21(11-8-12)15-6-3-9-17-20-15/h1-6,9,12H,7-8,10-11H2,(H,18,19)
InChIKeyNWXPHLNBTGIXSZ-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.17
Rot. Bonds3

About N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine

N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 167960032) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine
PubChem CID167960032
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC NameN-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESc1cnnc(N2CCC(Nc3nc4ccccc4s3)CC2)c1
InChIInChI=1S/C16H17N5S/c1-2-5-14-13(4-1)19-16(22-14)18-12-7-10-21(11-8-12)15-6-3-9-17-20-15/h1-6,9,12H,7-8,10-11H2,(H,18,19)
InChIKeyNWXPHLNBTGIXSZ-UHFFFAOYSA-N
XLogP3.17
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 47807742
N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine
CID 115695581
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
CID 121060359
(3R)-N-methyl-1-pyridazin-3-ylpyrrolidin-3-amine
CID 177337485
N-(1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118820
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine
CID 133330150
N-(1,3-benzothiazol-2-yl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
CID 39088463
N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine
CID 51983203
N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364899
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 133347839
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazol-2-amine
CID 24740748

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine (CID 167960032) is N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine is c1cnnc(N2CCC(Nc3nc4ccccc4s3)CC2)c1.
What is the InChIKey of N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is NWXPHLNBTGIXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-2-5-14-13(4-1)19-16(22-14)18-12-7-10-21(11-8-12)15-6-3-9-17-20-15/h1-6,9,12H,7-8,10-11H2,(H,18,19).
What are the key properties of N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 311.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 167960032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).