N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine

C10H9N3S — CID 130667392

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine
SMILESc1ccc2c(c1)CC2Nc1ncns1
InChIInChI=1S/C10H9N3S/c1-2-4-8-7(3-1)5-9(8)13-10-11-6-12-14-10/h1-4,6,9H,5H2,(H,11,12,13)
InChIKeyVDPWZKPHPHWVLU-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.25
Rot. Bonds2

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine (PubChem CID 130667392) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine
PubChem CID130667392
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine
SMILESc1ccc2c(c1)CC2Nc1ncns1
InChIInChI=1S/C10H9N3S/c1-2-4-8-7(3-1)5-9(8)13-10-11-6-12-14-10/h1-4,6,9H,5H2,(H,11,12,13)
InChIKeyVDPWZKPHPHWVLU-UHFFFAOYSA-N
XLogP2.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
CID 65276359
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine
CID 65277345
N-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine
CID 166292133
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
CID 2753031
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
CID 130687139
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
N-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine
CID 102809586
N-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 130651955
N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine
CID 103982417
N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 103865940
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 133443607
N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-thiadiazol-5-amine
CID 130757974

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine (CID 130667392) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine is c1ccc2c(c1)CC2Nc1ncns1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VDPWZKPHPHWVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c1-2-4-8-7(3-1)5-9(8)13-10-11-6-12-14-10/h1-4,6,9H,5H2,(H,11,12,13).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 203.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130667392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).