N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide

C15H15N5O2S — CID 134697182

IUPACN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide
SMILESCOC(C)c1nnc(NC(=O)c2ccc(-n3cccn3)cc2)s1
InChIInChI=1S/C15H15N5O2S/c1-10(22-2)14-18-19-15(23-14)17-13(21)11-4-6-12(7-5-11)20-9-3-8-16-20/h3-10H,1-2H3,(H,17,19,21)
InChIKeyYRNLVKXRSSWGEO-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.68
Rot. Bonds5

About N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide

N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide (PubChem CID 134697182) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide
PubChem CID134697182
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC NameN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide
SMILESCOC(C)c1nnc(NC(=O)c2ccc(-n3cccn3)cc2)s1
InChIInChI=1S/C15H15N5O2S/c1-10(22-2)14-18-19-15(23-14)17-13(21)11-4-6-12(7-5-11)20-9-3-8-16-20/h3-10H,1-2H3,(H,17,19,21)
InChIKeyYRNLVKXRSSWGEO-UHFFFAOYSA-N
XLogP2.68
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide
CID 31038872
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46472377
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 30043833
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 134699156
N-[2-[[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 134706263
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 134706786
4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623816
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide
CID 43418766
N-aminohydroxylamine;ethyl 4-pyrazol-1-ylbenzoate;4-pyrazol-1-ylbenzohydrazide
CID 157086437
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide
CID 83090123

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide (CID 134697182) is N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide is COC(C)c1nnc(NC(=O)c2ccc(-n3cccn3)cc2)s1.
What is the InChIKey of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide?
The InChIKey is YRNLVKXRSSWGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-10(22-2)14-18-19-15(23-14)17-13(21)11-4-6-12(7-5-11)20-9-3-8-16-20/h3-10H,1-2H3,(H,17,19,21).
What are the key properties of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide?
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide has a molecular weight of 329.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 134697182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).