N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C13H20N2S — CID 75440748

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1nc(CCNC2CC3CCC2C3)cs1
InChIInChI=1S/C13H20N2S/c1-9-15-12(8-16-9)4-5-14-13-7-10-2-3-11(13)6-10/h8,10-11,13-14H,2-7H2,1H3
InChIKeyUMNRAPCEEAKOSX-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.77
Rot. Bonds4

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 75440748) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID75440748
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1nc(CCNC2CC3CCC2C3)cs1
InChIInChI=1S/C13H20N2S/c1-9-15-12(8-16-9)4-5-14-13-7-10-2-3-11(13)6-10/h8,10-11,13-14H,2-7H2,1H3
InChIKeyUMNRAPCEEAKOSX-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine 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 N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 75440748) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is Cc1nc(CCNC2CC3CCC2C3)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is UMNRAPCEEAKOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-9-15-12(8-16-9)4-5-14-13-7-10-2-3-11(13)6-10/h8,10-11,13-14H,2-7H2,1H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 236.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 75440748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).