2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide

C18H14N6O2S — CID 167804601

IUPAC2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCn1cc(Oc2ccccc2C(=O)Nc2nnc(-c3ccccn3)s2)cn1
InChIInChI=1S/C18H14N6O2S/c1-24-11-12(10-20-24)26-15-8-3-2-6-13(15)16(25)21-18-23-22-17(27-18)14-7-4-5-9-19-14/h2-11H,1H3,(H,21,23,25)
InChIKeyJINXNFXSGOPNLQ-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.38
Rot. Bonds5

About 2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide

2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 167804601) has the molecular formula C18H14N6O2S and a molecular weight of 378.42 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID167804601
Molecular FormulaC18H14N6O2S
Molecular Weight378.42 g/mol
Exact Mass378.09
IUPAC Name2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCn1cc(Oc2ccccc2C(=O)Nc2nnc(-c3ccccn3)s2)cn1
InChIInChI=1S/C18H14N6O2S/c1-24-11-12(10-20-24)26-15-8-3-2-6-13(15)16(25)21-18-23-22-17(27-18)14-7-4-5-9-19-14/h2-11H,1H3,(H,21,23,25)
InChIKeyJINXNFXSGOPNLQ-UHFFFAOYSA-N
XLogP3.38
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 167988705
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 120939551
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide
CID 122514183
2-(2-methylpropoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 167890444
2-(1-methylpyrazol-4-yl)oxy-N-(2-oxo-1H-pyridin-3-yl)benzamide
CID 136540880
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47857402
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 167744287
2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 167956308
2-methyl-6-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 75415459
2-(2-methoxyethylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 119855748
4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 55810604
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55979153

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 167804601) is 2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide is Cn1cc(Oc2ccccc2C(=O)Nc2nnc(-c3ccccn3)s2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is JINXNFXSGOPNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2S/c1-24-11-12(10-20-24)26-15-8-3-2-6-13(15)16(25)21-18-23-22-17(27-18)14-7-4-5-9-19-14/h2-11H,1H3,(H,21,23,25).
What are the key properties of 2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 378.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 167804601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).