N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C13H22N2S — CID 62403369

IUPACN-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1sc(C2CCCCC2)nc1C
InChIInChI=1S/C13H22N2S/c1-3-14-9-12-10(2)15-13(16-12)11-7-5-4-6-8-11/h11,14H,3-9H2,1-2H3
InChIKeyRDOOOASWQSJTRY-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.61
Rot. Bonds4

About N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 62403369) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID62403369
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1sc(C2CCCCC2)nc1C
InChIInChI=1S/C13H22N2S/c1-3-14-9-12-10(2)15-13(16-12)11-7-5-4-6-8-11/h11,14H,3-9H2,1-2H3
InChIKeyRDOOOASWQSJTRY-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 62403369) is N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is CCNCc1sc(C2CCCCC2)nc1C.
What is the InChIKey of N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is RDOOOASWQSJTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-14-9-12-10(2)15-13(16-12)11-7-5-4-6-8-11/h11,14H,3-9H2,1-2H3.
What are the key properties of N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 62403369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).