(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

C15H23N5OS — CID 119894218

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nsc(N2CCN(C(=O)C3C4CCC(C4)C3N)CC2)n1
InChIInChI=1S/C15H23N5OS/c1-9-17-15(22-18-9)20-6-4-19(5-7-20)14(21)12-10-2-3-11(8-10)13(12)16/h10-13H,2-8,16H2,1H3
InChIKeyXNOCSWAWSKOPHX-UHFFFAOYSA-N
MW321.45 g/mol
LogP0.87
Rot. Bonds2

About (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 119894218) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID119894218
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nsc(N2CCN(C(=O)C3C4CCC(C4)C3N)CC2)n1
InChIInChI=1S/C15H23N5OS/c1-9-17-15(22-18-9)20-6-4-19(5-7-20)14(21)12-10-2-3-11(8-10)13(12)16/h10-13H,2-8,16H2,1H3
InChIKeyXNOCSWAWSKOPHX-UHFFFAOYSA-N
XLogP0.87
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (CID 119894218) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is Cc1nsc(N2CCN(C(=O)C3C4CCC(C4)C3N)CC2)n1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is XNOCSWAWSKOPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-9-17-15(22-18-9)20-6-4-19(5-7-20)14(21)12-10-2-3-11(8-10)13(12)16/h10-13H,2-8,16H2,1H3.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 321.45 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 119894218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).