N,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine

C9H18N2S — CID 174835033

IUPACN,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine
SMILESCCN(CC)CCN1C=CSC1
InChIInChI=1S/C9H18N2S/c1-3-10(4-2)5-6-11-7-8-12-9-11/h7-8H,3-6,9H2,1-2H3
InChIKeyHDYHMUPMXZFUEN-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.81
Rot. Bonds5

About N,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine

N,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine (PubChem CID 174835033) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine
PubChem CID174835033
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine
SMILESCCN(CC)CCN1C=CSC1
InChIInChI=1S/C9H18N2S/c1-3-10(4-2)5-6-11-7-8-12-9-11/h7-8H,3-6,9H2,1-2H3
InChIKeyHDYHMUPMXZFUEN-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine (CID 174835033) is N,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine is CCN(CC)CCN1C=CSC1.
What is the InChIKey of N,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine?
The InChIKey is HDYHMUPMXZFUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-3-10(4-2)5-6-11-7-8-12-9-11/h7-8H,3-6,9H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine?
N,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine has a molecular weight of 186.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine is sourced from PubChem (CID 174835033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).