3-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine

C14H23N3S — CID 114128276

IUPAC3-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCCc1cnc(CNCC2C3CCC(C3)C2N)s1
InChIInChI=1S/C14H23N3S/c1-2-11-6-17-13(18-11)8-16-7-12-9-3-4-10(5-9)14(12)15/h6,9-10,12,14,16H,2-5,7-8,15H2,1H3
InChIKeySYMGBJZNGIQRBD-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.17
Rot. Bonds5

About 3-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine

3-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 114128276) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 3-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name3-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID114128276
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name3-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCCc1cnc(CNCC2C3CCC(C3)C2N)s1
InChIInChI=1S/C14H23N3S/c1-2-11-6-17-13(18-11)8-16-7-12-9-3-4-10(5-9)14(12)15/h6,9-10,12,14,16H,2-5,7-8,15H2,1H3
InChIKeySYMGBJZNGIQRBD-UHFFFAOYSA-N
XLogP2.17
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783648
N-[2-bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106783649
N-[2-bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783650
2-(2-Bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785964
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106786171
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106786371
2-Bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 113876753
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 54883381
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 54883764
N-[[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 55143871
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]methanamine
CID 55210344
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60777081

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 3-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine (CID 114128276) is 3-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 3-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 3-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine is CCc1cnc(CNCC2C3CCC(C3)C2N)s1.
What is the InChIKey of 3-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is SYMGBJZNGIQRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-11-6-17-13(18-11)8-16-7-12-9-3-4-10(5-9)14(12)15/h6,9-10,12,14,16H,2-5,7-8,15H2,1H3.
What are the key properties of 3-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine?
3-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 265.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 114128276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).