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

C11H17N3S — CID 103361648

IUPAC5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCC2CC3CCC2C3)sn1
InChIInChI=1S/C11H17N3S/c12-10-5-11(15-14-10)13-6-9-4-7-1-2-8(9)3-7/h5,7-9,13H,1-4,6H2,(H2,12,14)
InChIKeyBLKXQUAKOMBRBA-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.57
Rot. Bonds3

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

5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103361648) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103361648
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCC2CC3CCC2C3)sn1
InChIInChI=1S/C11H17N3S/c12-10-5-11(15-14-10)13-6-9-4-7-1-2-8(9)3-7/h5,7-9,13H,1-4,6H2,(H2,12,14)
InChIKeyBLKXQUAKOMBRBA-UHFFFAOYSA-N
XLogP2.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-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)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2-thiazole-3,5-diamine (CID 103361648) is 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2-thiazole-3,5-diamine is Nc1cc(NCC2CC3CCC2C3)sn1.
What is the InChIKey of 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is BLKXQUAKOMBRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c12-10-5-11(15-14-10)13-6-9-4-7-1-2-8(9)3-7/h5,7-9,13H,1-4,6H2,(H2,12,14).
What are the key properties of 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2-thiazole-3,5-diamine?
5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 223.34 g/mol, XLogP of 2.57, 3 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]heptanylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).