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

C13H20N2S — CID 78992569

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCC2CC3CCC2C3)n1
InChIInChI=1S/C13H20N2S/c1-9-8-16-13(15-9)7-14-6-12-5-10-2-3-11(12)4-10/h8,10-12,14H,2-7H2,1H3
InChIKeyDXCUATRUAMADFA-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.98
Rot. Bonds4

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

1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 78992569) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID78992569
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCC2CC3CCC2C3)n1
InChIInChI=1S/C13H20N2S/c1-9-8-16-13(15-9)7-14-6-12-5-10-2-3-11(12)4-10/h8,10-12,14H,2-7H2,1H3
InChIKeyDXCUATRUAMADFA-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 61309763
1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78992568
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104769990
1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104574977
1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 62733747
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275478
1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78992422
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
CID 63689969
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63002159
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclopropyl-4-methylimidazol-2-amine
CID 106572484
N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 63681870
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 78992569) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is Cc1csc(CNCC2CC3CCC2C3)n1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is DXCUATRUAMADFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-9-8-16-13(15-9)7-14-6-12-5-10-2-3-11(12)4-10/h8,10-12,14H,2-7H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 236.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 78992569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).