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

C12H16N6OS — CID 56780767

IUPAC2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cnn(C2CN(CC(=O)Nc3nnc(C)s3)C2)c1
InChIInChI=1S/C12H16N6OS/c1-8-3-13-18(4-8)10-5-17(6-10)7-11(19)14-12-16-15-9(2)20-12/h3-4,10H,5-7H2,1-2H3,(H,14,16,19)
InChIKeyKKUXPNONWFOMFK-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.85
Rot. Bonds4

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

2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 56780767) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID56780767
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cnn(C2CN(CC(=O)Nc3nnc(C)s3)C2)c1
InChIInChI=1S/C12H16N6OS/c1-8-3-13-18(4-8)10-5-17(6-10)7-11(19)14-12-16-15-9(2)20-12/h3-4,10H,5-7H2,1-2H3,(H,14,16,19)
InChIKeyKKUXPNONWFOMFK-UHFFFAOYSA-N
XLogP0.85
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 56780767) is 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1cnn(C2CN(CC(=O)Nc3nnc(C)s3)C2)c1.
What is the InChIKey of 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is KKUXPNONWFOMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-8-3-13-18(4-8)10-5-17(6-10)7-11(19)14-12-16-15-9(2)20-12/h3-4,10H,5-7H2,1-2H3,(H,14,16,19).
What are the key properties of 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 292.37 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 56780767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).