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

C17H19N7OS — CID 90514873

IUPAC1-(6-imidazol-1-ylpyridazin-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(c3ccc(-n4ccnc4)nn3)C2)sn1
InChIInChI=1S/C17H19N7OS/c1-12-9-16(26-22-12)19-17(25)13-3-2-7-23(10-13)14-4-5-15(21-20-14)24-8-6-18-11-24/h4-6,8-9,11,13H,2-3,7,10H2,1H3,(H,19,25)
InChIKeyLYLTWWWIEYNFKU-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.28
Rot. Bonds4

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

1-(6-imidazol-1-ylpyridazin-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-3-carboxamide (PubChem CID 90514873) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyridazin-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
PubChem CID90514873
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name1-(6-imidazol-1-ylpyridazin-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(c3ccc(-n4ccnc4)nn3)C2)sn1
InChIInChI=1S/C17H19N7OS/c1-12-9-16(26-22-12)19-17(25)13-3-2-7-23(10-13)14-4-5-15(21-20-14)24-8-6-18-11-24/h4-6,8-9,11,13H,2-3,7,10H2,1H3,(H,19,25)
InChIKeyLYLTWWWIEYNFKU-UHFFFAOYSA-N
XLogP2.28
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-3-carboxamide (CID 90514873) is 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-3-carboxamide is Cc1cc(NC(=O)C2CCCN(c3ccc(-n4ccnc4)nn3)C2)sn1.
What is the InChIKey of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-3-carboxamide?
The InChIKey is LYLTWWWIEYNFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-12-9-16(26-22-12)19-17(25)13-3-2-7-23(10-13)14-4-5-15(21-20-14)24-8-6-18-11-24/h4-6,8-9,11,13H,2-3,7,10H2,1H3,(H,19,25).
What are the key properties of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-3-carboxamide?
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.28, 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-(3-methyl-1,2-thiazol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90514873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).