1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine

C9H16N2S — CID 82428207

IUPAC1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine
SMILESCCc1nc(CC)c(C(C)N)s1
InChIInChI=1S/C9H16N2S/c1-4-7-9(6(3)10)12-8(5-2)11-7/h6H,4-5,10H2,1-3H3
InChIKeyPPZVTMIXECDQFL-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.29
Rot. Bonds3

About 1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine

1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 82428207) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine
PubChem CID82428207
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine
SMILESCCc1nc(CC)c(C(C)N)s1
InChIInChI=1S/C9H16N2S/c1-4-7-9(6(3)10)12-8(5-2)11-7/h6H,4-5,10H2,1-3H3
InChIKeyPPZVTMIXECDQFL-UHFFFAOYSA-N
XLogP2.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine (CID 82428207) is 1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine is CCc1nc(CC)c(C(C)N)s1.
What is the InChIKey of 1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is PPZVTMIXECDQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-4-7-9(6(3)10)12-8(5-2)11-7/h6H,4-5,10H2,1-3H3.
What are the key properties of 1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine?
1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 184.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 82428207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).