5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine

C11H12N4S — CID 66278553

IUPAC5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCC2Cc3ccccc32)n1
InChIInChI=1S/C11H12N4S/c12-10-14-11(16-15-10)13-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5-6H2,(H3,12,13,14,15)
InChIKeyQQVBDGXFVIMHON-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.87
Rot. Bonds3

About 5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine

5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66278553) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66278553
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCC2Cc3ccccc32)n1
InChIInChI=1S/C11H12N4S/c12-10-14-11(16-15-10)13-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5-6H2,(H3,12,13,14,15)
InChIKeyQQVBDGXFVIMHON-UHFFFAOYSA-N
XLogP1.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine with MolForge

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Related Compounds

4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)quinazoline-2,4-diamine
CID 80776084
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine
CID 79399487
2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 80790072
5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103364090
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 133375690
3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133335140
2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine
CID 83266351
3-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzene-1,3-diamine
CID 66396181
1-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-fluorobenzene-1,2-diamine
CID 66396180
4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80986975
4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80788757
2-[[5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 66407566

Frequently Asked Questions

What is the IUPAC name of 5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine (CID 66278553) is 5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NCC2Cc3ccccc32)n1.
What is the InChIKey of 5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is QQVBDGXFVIMHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c12-10-14-11(16-15-10)13-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5-6H2,(H3,12,13,14,15).
What are the key properties of 5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 232.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66278553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).