1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine

C16H26N2S — CID 43204321

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NC(C)C2CC3CCC2C3)c(C)s1
InChIInChI=1S/C16H26N2S/c1-9(15-8-13-5-6-14(15)7-13)17-10(2)16-11(3)19-12(4)18-16/h9-10,13-15,17H,5-8H2,1-4H3
InChIKeyATDSPXRWSOLLOV-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.24
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 43204321) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID43204321
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NC(C)C2CC3CCC2C3)c(C)s1
InChIInChI=1S/C16H26N2S/c1-9(15-8-13-5-6-14(15)7-13)17-10(2)16-11(3)19-12(4)18-16/h9-10,13-15,17H,5-8H2,1-4H3
InChIKeyATDSPXRWSOLLOV-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 43204321) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine is Cc1nc(C(C)NC(C)C2CC3CCC2C3)c(C)s1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is ATDSPXRWSOLLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-9(15-8-13-5-6-14(15)7-13)17-10(2)16-11(3)19-12(4)18-16/h9-10,13-15,17H,5-8H2,1-4H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 278.46 g/mol, XLogP of 4.24, 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-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 43204321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).