1-(6-imidazol-1-ylpyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C16H18N8OS — CID 52993033

IUPAC1-(6-imidazol-1-ylpyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCc1nnc(NC(=O)C2CCCN(c3ccc(-n4ccnc4)nn3)C2)s1
InChIInChI=1S/C16H18N8OS/c1-11-19-22-16(26-11)18-15(25)12-3-2-7-23(9-12)13-4-5-14(21-20-13)24-8-6-17-10-24/h4-6,8,10,12H,2-3,7,9H2,1H3,(H,18,22,25)
InChIKeyIMTVWNLLGMPOQS-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.68
Rot. Bonds4

About 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

1-(6-imidazol-1-ylpyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 52993033) has the molecular formula C16H18N8OS and a molecular weight of 370.44 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID52993033
Molecular FormulaC16H18N8OS
Molecular Weight370.44 g/mol
Exact Mass370.13
IUPAC Name1-(6-imidazol-1-ylpyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCc1nnc(NC(=O)C2CCCN(c3ccc(-n4ccnc4)nn3)C2)s1
InChIInChI=1S/C16H18N8OS/c1-11-19-22-16(26-11)18-15(25)12-3-2-7-23(9-12)13-4-5-14(21-20-13)24-8-6-17-10-24/h4-6,8,10,12H,2-3,7,9H2,1H3,(H,18,22,25)
InChIKeyIMTVWNLLGMPOQS-UHFFFAOYSA-N
XLogP1.68
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 52993033) is 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is Cc1nnc(NC(=O)C2CCCN(c3ccc(-n4ccnc4)nn3)C2)s1.
What is the InChIKey of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is IMTVWNLLGMPOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8OS/c1-11-19-22-16(26-11)18-15(25)12-3-2-7-23(9-12)13-4-5-14(21-20-13)24-8-6-17-10-24/h4-6,8,10,12H,2-3,7,9H2,1H3,(H,18,22,25).
What are the key properties of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 370.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 52993033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).