2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C14H20N6OS — CID 71926963

IUPAC2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(C2CCCN(CC(=O)Nc3nnc(C)s3)C2)n[nH]1
InChIInChI=1S/C14H20N6OS/c1-9-6-12(18-16-9)11-4-3-5-20(7-11)8-13(21)15-14-19-17-10(2)22-14/h6,11H,3-5,7-8H2,1-2H3,(H,16,18)(H,15,19,21)
InChIKeyAFIUYIOJZMXLAN-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.70
Rot. Bonds4

About 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 71926963) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID71926963
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(C2CCCN(CC(=O)Nc3nnc(C)s3)C2)n[nH]1
InChIInChI=1S/C14H20N6OS/c1-9-6-12(18-16-9)11-4-3-5-20(7-11)8-13(21)15-14-19-17-10(2)22-14/h6,11H,3-5,7-8H2,1-2H3,(H,16,18)(H,15,19,21)
InChIKeyAFIUYIOJZMXLAN-UHFFFAOYSA-N
XLogP1.70
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004525
N-(3-methyl-1,2-oxazol-5-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004520
2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 71926982
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004522
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004521
2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 97004492
2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97004509
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 124756426
2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 97038969
ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 17066457
2-[4-(methoxymethyl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 121091650
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56781800

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 71926963) is 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1cc(C2CCCN(CC(=O)Nc3nnc(C)s3)C2)n[nH]1.
What is the InChIKey of 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is AFIUYIOJZMXLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-9-6-12(18-16-9)11-4-3-5-20(7-11)8-13(21)15-14-19-17-10(2)22-14/h6,11H,3-5,7-8H2,1-2H3,(H,16,18)(H,15,19,21).
What are the key properties of 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 320.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 71926963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).