2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C19H20N6O3S — CID 24794191

IUPAC2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)c2cnsn2)CC1
InChIInChI=1S/C19H20N6O3S/c1-28-16-5-3-2-4-14(16)18(26)22-17-6-9-20-25(17)13-7-10-24(11-8-13)19(27)15-12-21-29-23-15/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,22,26)
InChIKeyONINNQSVZNPOOH-UHFFFAOYSA-N
MW412.48 g/mol
LogP2.47
Rot. Bonds5

About 2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24794191) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24794191
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC Name2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)c2cnsn2)CC1
InChIInChI=1S/C19H20N6O3S/c1-28-16-5-3-2-4-14(16)18(26)22-17-6-9-20-25(17)13-7-10-24(11-8-13)19(27)15-12-21-29-23-15/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,22,26)
InChIKeyONINNQSVZNPOOH-UHFFFAOYSA-N
XLogP2.47
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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N-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide;hydrochloride
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1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24794191) is 2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)c2cnsn2)CC1.
What is the InChIKey of 2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is ONINNQSVZNPOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-28-16-5-3-2-4-14(16)18(26)22-17-6-9-20-25(17)13-7-10-24(11-8-13)19(27)15-12-21-29-23-15/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,22,26).
What are the key properties of 2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 412.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24794191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).