1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine

C13H22N2S — CID 65399762

IUPAC1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
SMILESCNC(C)c1cnc(C2CCCCCC2)s1
InChIInChI=1S/C13H22N2S/c1-10(14-2)12-9-15-13(16-12)11-7-5-3-4-6-8-11/h9-11,14H,3-8H2,1-2H3
InChIKeyMPYPUFPNMWSDED-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.86
Rot. Bonds3

About 1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine

1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine (PubChem CID 65399762) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
PubChem CID65399762
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
SMILESCNC(C)c1cnc(C2CCCCCC2)s1
InChIInChI=1S/C13H22N2S/c1-10(14-2)12-9-15-13(16-12)11-7-5-3-4-6-8-11/h9-11,14H,3-8H2,1-2H3
InChIKeyMPYPUFPNMWSDED-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine?
The IUPAC name of 1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine (CID 65399762) is 1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine is CNC(C)c1cnc(C2CCCCCC2)s1.
What is the InChIKey of 1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine?
The InChIKey is MPYPUFPNMWSDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(14-2)12-9-15-13(16-12)11-7-5-3-4-6-8-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine?
1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 65399762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).