N-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine

C9H18N2S — CID 118617263

IUPACN-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine
SMILESCCN(C)CCC1=CSC(C)N1
InChIInChI=1S/C9H18N2S/c1-4-11(3)6-5-9-7-12-8(2)10-9/h7-8,10H,4-6H2,1-3H3
InChIKeyCSTXCPARDKRKTN-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.85
Rot. Bonds4

About N-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine

N-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine (PubChem CID 118617263) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine
PubChem CID118617263
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine
SMILESCCN(C)CCC1=CSC(C)N1
InChIInChI=1S/C9H18N2S/c1-4-11(3)6-5-9-7-12-8(2)10-9/h7-8,10H,4-6H2,1-3H3
InChIKeyCSTXCPARDKRKTN-UHFFFAOYSA-N
XLogP1.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine (CID 118617263) is N-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine is CCN(C)CCC1=CSC(C)N1.
What is the InChIKey of N-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine?
The InChIKey is CSTXCPARDKRKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-4-11(3)6-5-9-7-12-8(2)10-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine?
N-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine has a molecular weight of 186.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 118617263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).