5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine

C10H16N4S — CID 66278129

IUPAC5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCC2CC3CCC2C3)n1
InChIInChI=1S/C10H16N4S/c11-9-13-10(15-14-9)12-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H3,11,12,13,14)
InChIKeyRPMQSVMVNQMFRA-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.97
Rot. Bonds3

About 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine

5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66278129) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66278129
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCC2CC3CCC2C3)n1
InChIInChI=1S/C10H16N4S/c11-9-13-10(15-14-9)12-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H3,11,12,13,14)
InChIKeyRPMQSVMVNQMFRA-UHFFFAOYSA-N
XLogP1.97
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 66278140
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80910192
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66275388
5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66281185
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80834865
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102762067
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzoxazole-2,4-diamine
CID 79893012
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine
CID 63687023
3-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 113383643
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine
CID 83265353
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylpyridine-2,5-diamine
CID 63689946
2-[[5-(2-bicyclo[2.2.1]heptanylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 63682703

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine (CID 66278129) is 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NCC2CC3CCC2C3)n1.
What is the InChIKey of 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is RPMQSVMVNQMFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c11-9-13-10(15-14-9)12-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H3,11,12,13,14).
What are the key properties of 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 224.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66278129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).