N-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide

C20H24N6OS — CID 119038988

IUPACN-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1nc2ccccc2s1)N1CCC(N(C)c2cccnn2)CC1
InChIInChI=1S/C20H24N6OS/c1-14(19(27)23-20-22-16-6-3-4-7-17(16)28-20)26-12-9-15(10-13-26)25(2)18-8-5-11-21-24-18/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,22,23,27)
InChIKeyGURPYJMFLVBAJD-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.01
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide

N-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide (PubChem CID 119038988) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide
PubChem CID119038988
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1nc2ccccc2s1)N1CCC(N(C)c2cccnn2)CC1
InChIInChI=1S/C20H24N6OS/c1-14(19(27)23-20-22-16-6-3-4-7-17(16)28-20)26-12-9-15(10-13-26)25(2)18-8-5-11-21-24-18/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,22,23,27)
InChIKeyGURPYJMFLVBAJD-UHFFFAOYSA-N
XLogP3.01
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide
CID 60507938
N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
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CID 60501385
2-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-(1,3-benzothiazol-2-yl)propanamide
CID 86892404
(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide
CID 9336787
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N-(1,3-benzothiazol-2-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propanamide
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N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide (CID 119038988) is N-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide is CC(C(=O)Nc1nc2ccccc2s1)N1CCC(N(C)c2cccnn2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide?
The InChIKey is GURPYJMFLVBAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-14(19(27)23-20-22-16-6-3-4-7-17(16)28-20)26-12-9-15(10-13-26)25(2)18-8-5-11-21-24-18/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,22,23,27).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide?
N-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide has a molecular weight of 396.52 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide is sourced from PubChem (CID 119038988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).