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

C16H24N6OS — CID 90495488

IUPAC2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(C)n(CC2CCN(CC(=O)Nc3nnc(C)s3)CC2)n1
InChIInChI=1S/C16H24N6OS/c1-11-8-12(2)22(20-11)9-14-4-6-21(7-5-14)10-15(23)17-16-19-18-13(3)24-16/h8,14H,4-7,9-10H2,1-3H3,(H,17,19,23)
InChIKeyCOKHHFPPEYAJSD-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.01
Rot. Bonds5

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

2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 90495488) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID90495488
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(C)n(CC2CCN(CC(=O)Nc3nnc(C)s3)CC2)n1
InChIInChI=1S/C16H24N6OS/c1-11-8-12(2)22(20-11)9-14-4-6-21(7-5-14)10-15(23)17-16-19-18-13(3)24-16/h8,14H,4-7,9-10H2,1-3H3,(H,17,19,23)
InChIKeyCOKHHFPPEYAJSD-UHFFFAOYSA-N
XLogP2.01
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495505
N-(3,4-dimethoxyphenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495459
2-[4-(methoxymethyl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 121091650
ethyl 2-[2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 90495530
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56781800
2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide
CID 90495494
N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495502
ethyl 2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]benzoate
CID 90495468
ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 17066457
2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 97038969
2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95299136
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 22195848

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 90495488) is 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1cc(C)n(CC2CCN(CC(=O)Nc3nnc(C)s3)CC2)n1.
What is the InChIKey of 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is COKHHFPPEYAJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-11-8-12(2)22(20-11)9-14-4-6-21(7-5-14)10-15(23)17-16-19-18-13(3)24-16/h8,14H,4-7,9-10H2,1-3H3,(H,17,19,23).
What are the key properties of 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 348.48 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 90495488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).