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

C13H18N6OS — CID 56781800

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(C)n(C2CN(CC(=O)Nc3nnc(C)s3)C2)n1
InChIInChI=1S/C13H18N6OS/c1-8-4-9(2)19(17-8)11-5-18(6-11)7-12(20)14-13-16-15-10(3)21-13/h4,11H,5-7H2,1-3H3,(H,14,16,20)
InChIKeyWKFOSJNCFFXOHF-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.16
Rot. Bonds4

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

2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 56781800) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID56781800
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(C)n(C2CN(CC(=O)Nc3nnc(C)s3)C2)n1
InChIInChI=1S/C13H18N6OS/c1-8-4-9(2)19(17-8)11-5-18(6-11)7-12(20)14-13-16-15-10(3)21-13/h4,11H,5-7H2,1-3H3,(H,14,16,20)
InChIKeyWKFOSJNCFFXOHF-UHFFFAOYSA-N
XLogP1.16
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 90495488
2-[[2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 124758316
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide
CID 98157374
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95612923
N-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide
CID 95129086
2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71926963
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 56781739
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrazol-1-ylacetamide
CID 39723877
ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 17066457
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 56803060
2-[4-(methoxymethyl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 121091650
2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 97038969

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 56781800) is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1cc(C)n(C2CN(CC(=O)Nc3nnc(C)s3)C2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WKFOSJNCFFXOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-8-4-9(2)19(17-8)11-5-18(6-11)7-12(20)14-13-16-15-10(3)21-13/h4,11H,5-7H2,1-3H3,(H,14,16,20).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 306.40 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 56781800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).