2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide

C23H28N10O2S2 — CID 144953790

IUPAC2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCn1ccc(CC(=O)Nc2nnc(C3CC4(CCC4)C3)s2)n1.Cn1ccc(CC(=O)Nc2nncs2)n1
InChIInChI=1S/C15H19N5OS.C8H9N5OS/c1-20-6-3-11(19-20)7-12(21)16-14-18-17-13(22-14)10-8-15(9-10)4-2-5-15;1-13-3-2-6(12-13)4-7(14)10-8-11-9-5-15-8/h3,6,10H,2,4-5,7-9H2,1H3,(H,16,18,21);2-3,5H,4H2,1H3,(H,10,11,14)
InChIKeyKKZSBJVBNIPNQP-UHFFFAOYSA-N
MW540.68 g/mol
LogP2.95
Rot. Bonds7

About 2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 144953790) has the molecular formula C23H28N10O2S2 and a molecular weight of 540.68 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID144953790
Molecular FormulaC23H28N10O2S2
Molecular Weight540.68 g/mol
Exact Mass540.18
IUPAC Name2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCn1ccc(CC(=O)Nc2nnc(C3CC4(CCC4)C3)s2)n1.Cn1ccc(CC(=O)Nc2nncs2)n1
InChIInChI=1S/C15H19N5OS.C8H9N5OS/c1-20-6-3-11(19-20)7-12(21)16-14-18-17-13(22-14)10-8-15(9-10)4-2-5-15;1-13-3-2-6(12-13)4-7(14)10-8-11-9-5-15-8/h3,6,10H,2,4-5,7-9H2,1H3,(H,16,18,21);2-3,5H,4H2,1H3,(H,10,11,14)
InChIKeyKKZSBJVBNIPNQP-UHFFFAOYSA-N
XLogP2.95
TPSA145.40 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.68
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 144953790) is 2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide is Cn1ccc(CC(=O)Nc2nnc(C3CC4(CCC4)C3)s2)n1.Cn1ccc(CC(=O)Nc2nncs2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is KKZSBJVBNIPNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS.C8H9N5OS/c1-20-6-3-11(19-20)7-12(21)16-14-18-17-13(22-14)10-8-15(9-10)4-2-5-15;1-13-3-2-6(12-13)4-7(14)10-8-11-9-5-15-8/h3,6,10H,2,4-5,7-9H2,1H3,(H,16,18,21);2-3,5H,4H2,1H3,(H,10,11,14).
What are the key properties of 2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 540.68 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 144953790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).