1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C20H23N7OS — CID 52993028

IUPAC1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C1CCCN(c2ccc(-n3ccnc3)nn2)C1
InChIInChI=1S/C20H23N7OS/c28-19(23-20-22-15-5-1-2-6-16(15)29-20)14-4-3-10-26(12-14)17-7-8-18(25-24-17)27-11-9-21-13-27/h7-9,11,13-14H,1-6,10,12H2,(H,22,23,28)
InChIKeyKWRGOHPNXDTYPE-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.85
Rot. Bonds4

About 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 52993028) has the molecular formula C20H23N7OS and a molecular weight of 409.52 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID52993028
Molecular FormulaC20H23N7OS
Molecular Weight409.52 g/mol
Exact Mass409.17
IUPAC Name1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C1CCCN(c2ccc(-n3ccnc3)nn2)C1
InChIInChI=1S/C20H23N7OS/c28-19(23-20-22-15-5-1-2-6-16(15)29-20)14-4-3-10-26(12-14)17-7-8-18(25-24-17)27-11-9-21-13-27/h7-9,11,13-14H,1-6,10,12H2,(H,22,23,28)
InChIKeyKWRGOHPNXDTYPE-UHFFFAOYSA-N
XLogP2.85
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-(1H-pyrazol-1-yl)pyridazin-3-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 52907581
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1H-pyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 52993004
1-(6-(1H-imidazol-1-yl)pyridazin-3-yl)-N-(3-(2-methylthiazol-4-yl)phenyl)piperidine-3-carboxamide
CID 52993029
1-(6-(1H-imidazol-1-yl)pyridazin-3-yl)-N-(4,5-dimethylthiazol-2-yl)piperidine-3-carboxamide
CID 52993040
1-(6-(1H-1,2,4-triazol-1-yl)pyridazin-3-yl)-N-(4-(pyridin-2-yl)thiazol-2-yl)piperidine-3-carboxamide
CID 71810942
N-(1,3-benzothiazol-2-yl)-(S)-1-[6-(3,5-dimethyl-1-pyrazolyl)-4-pyrimidinyl]-3-piperidinecarboxamide
CID 95367740
(3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97224937
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 117665261
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 24575562
N-((6-(4-fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)methyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 90547586
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 46341659
1-[6-(1H-pyrazol-1-yl)pyridazin-3-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 52992998

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 52993028) is 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nc2c(s1)CCCC2)C1CCCN(c2ccc(-n3ccnc3)nn2)C1.
What is the InChIKey of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is KWRGOHPNXDTYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS/c28-19(23-20-22-15-5-1-2-6-16(15)29-20)14-4-3-10-26(12-14)17-7-8-18(25-24-17)27-11-9-21-13-27/h7-9,11,13-14H,1-6,10,12H2,(H,22,23,28).
What are the key properties of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 52993028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).