N-[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.1.1]hexanyl]acetamide

C10H13N3OS — CID 146393333

IUPACN-[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.1.1]hexanyl]acetamide
SMILESCC(=O)NC12CCC(c3nncs3)(C1)C2
InChIInChI=1S/C10H13N3OS/c1-7(14)12-10-3-2-9(4-10,5-10)8-13-11-6-15-8/h6H,2-5H2,1H3,(H,12,14)
InChIKeyMLULYTBSOYJCAD-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.24
Rot. Bonds2

About N-[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.1.1]hexanyl]acetamide

N-[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.1.1]hexanyl]acetamide (PubChem CID 146393333) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.1.1]hexanyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.1.1]hexanyl]acetamide
PubChem CID146393333
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.1.1]hexanyl]acetamide
SMILESCC(=O)NC12CCC(c3nncs3)(C1)C2
InChIInChI=1S/C10H13N3OS/c1-7(14)12-10-3-2-9(4-10,5-10)8-13-11-6-15-8/h6H,2-5H2,1H3,(H,12,14)
InChIKeyMLULYTBSOYJCAD-UHFFFAOYSA-N
XLogP1.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.1.1]hexanyl]acetamide?
The IUPAC name of N-[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.1.1]hexanyl]acetamide (CID 146393333) is N-[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.1.1]hexanyl]acetamide.
What is the SMILES notation for N-[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.1.1]hexanyl]acetamide?
The canonical SMILES for N-[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.1.1]hexanyl]acetamide is CC(=O)NC12CCC(c3nncs3)(C1)C2.
What is the InChIKey of N-[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.1.1]hexanyl]acetamide?
The InChIKey is MLULYTBSOYJCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7(14)12-10-3-2-9(4-10,5-10)8-13-11-6-15-8/h6H,2-5H2,1H3,(H,12,14).
What are the key properties of N-[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.1.1]hexanyl]acetamide?
N-[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.1.1]hexanyl]acetamide has a molecular weight of 223.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.1.1]hexanyl]acetamide is sourced from PubChem (CID 146393333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).