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

C12H18N2S — CID 61309763

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1csc(CNC2CC3CCC2C3)n1
InChIInChI=1S/C12H18N2S/c1-8-7-15-12(14-8)6-13-11-5-9-2-3-10(11)4-9/h7,9-11,13H,2-6H2,1H3
InChIKeyHBQVEBRKPDYRFK-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.73
Rot. Bonds3

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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 61309763) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID61309763
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1csc(CNC2CC3CCC2C3)n1
InChIInChI=1S/C12H18N2S/c1-8-7-15-12(14-8)6-13-11-5-9-2-3-10(11)4-9/h7,9-11,13H,2-6H2,1H3
InChIKeyHBQVEBRKPDYRFK-UHFFFAOYSA-N
XLogP2.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 61309763) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine is Cc1csc(CNC2CC3CCC2C3)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is HBQVEBRKPDYRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-8-7-15-12(14-8)6-13-11-5-9-2-3-10(11)4-9/h7,9-11,13H,2-6H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 222.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61309763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).