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

C16H25N5OS — CID 119893608

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCCc1nsc(N2CCN(C(=O)C3C4CCC(C4)C3N)CC2)n1
InChIInChI=1S/C16H25N5OS/c1-2-12-18-16(23-19-12)21-7-5-20(6-8-21)15(22)13-10-3-4-11(9-10)14(13)17/h10-11,13-14H,2-9,17H2,1H3
InChIKeyLTQLCSUFRXTVNG-UHFFFAOYSA-N
MW335.48 g/mol
LogP1.12
Rot. Bonds3

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

(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 119893608) has the molecular formula C16H25N5OS and a molecular weight of 335.48 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID119893608
Molecular FormulaC16H25N5OS
Molecular Weight335.48 g/mol
Exact Mass335.18
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCCc1nsc(N2CCN(C(=O)C3C4CCC(C4)C3N)CC2)n1
InChIInChI=1S/C16H25N5OS/c1-2-12-18-16(23-19-12)21-7-5-20(6-8-21)15(22)13-10-3-4-11(9-10)14(13)17/h10-11,13-14H,2-9,17H2,1H3
InChIKeyLTQLCSUFRXTVNG-UHFFFAOYSA-N
XLogP1.12
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 51.12
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-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (CID 119893608) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-ethyl-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-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is CCc1nsc(N2CCN(C(=O)C3C4CCC(C4)C3N)CC2)n1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is LTQLCSUFRXTVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5OS/c1-2-12-18-16(23-19-12)21-7-5-20(6-8-21)15(22)13-10-3-4-11(9-10)14(13)17/h10-11,13-14H,2-9,17H2,1H3.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 335.48 g/mol, XLogP of 1.12, 3 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-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 119893608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).