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

C12H19N3S — CID 103362961

IUPAC5-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCN(CC1CC2CCC1C2)c1cc(N)ns1
InChIInChI=1S/C12H19N3S/c1-15(12-6-11(13)14-16-12)7-10-5-8-2-3-9(10)4-8/h6,8-10H,2-5,7H2,1H3,(H2,13,14)
InChIKeyRNJVPNBUWHWOEI-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.60
Rot. Bonds3

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

5-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103362961) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103362961
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name5-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCN(CC1CC2CCC1C2)c1cc(N)ns1
InChIInChI=1S/C12H19N3S/c1-15(12-6-11(13)14-16-12)7-10-5-8-2-3-9(10)4-8/h6,8-10H,2-5,7H2,1H3,(H2,13,14)
InChIKeyRNJVPNBUWHWOEI-UHFFFAOYSA-N
XLogP2.60
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-N-methyl-1,2-thiazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103362961) is 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-N-methyl-1,2-thiazole-3,5-diamine is CN(CC1CC2CCC1C2)c1cc(N)ns1.
What is the InChIKey of 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is RNJVPNBUWHWOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-15(12-6-11(13)14-16-12)7-10-5-8-2-3-9(10)4-8/h6,8-10H,2-5,7H2,1H3,(H2,13,14).
What are the key properties of 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-N-methyl-1,2-thiazole-3,5-diamine?
5-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 237.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103362961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).