5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine

C10H15N3S — CID 103359684

IUPAC5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NC2CC3CCC2C3)sn1
InChIInChI=1S/C10H15N3S/c11-9-5-10(14-13-9)12-8-4-6-1-2-7(8)3-6/h5-8,12H,1-4H2,(H2,11,13)
InChIKeyBOLNJVYBVRSNNL-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.33
Rot. Bonds2

About 5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine

5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359684) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
PubChem CID103359684
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NC2CC3CCC2C3)sn1
InChIInChI=1S/C10H15N3S/c11-9-5-10(14-13-9)12-8-4-6-1-2-7(8)3-6/h5-8,12H,1-4H2,(H2,11,13)
InChIKeyBOLNJVYBVRSNNL-UHFFFAOYSA-N
XLogP2.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359641
5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
CID 103359675
5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359682
5-N-(3,5-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359753
5-N-(3,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359762
5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359772
5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine
CID 103359793
5-N-(3-ethyl-2-methylcyclopentyl)-1,2-thiazole-3,5-diamine
CID 103359802
5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359899
5-N-(2-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359954
5-N-(4-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359964
5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359984

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine (CID 103359684) is 5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine is Nc1cc(NC2CC3CCC2C3)sn1.
What is the InChIKey of 5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine?
The InChIKey is BOLNJVYBVRSNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c11-9-5-10(14-13-9)12-8-4-6-1-2-7(8)3-6/h5-8,12H,1-4H2,(H2,11,13).
What are the key properties of 5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine?
5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine has a molecular weight of 209.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).