1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine

C11H21N3S — CID 112501302

IUPAC1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine
SMILESCCN(CC)C(C)c1nc(CCN)cs1
InChIInChI=1S/C11H21N3S/c1-4-14(5-2)9(3)11-13-10(6-7-12)8-15-11/h8-9H,4-7,12H2,1-3H3
InChIKeyACKPWEMJYUZYET-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.05
Rot. Bonds6

About 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine

1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine (PubChem CID 112501302) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine
PubChem CID112501302
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine
SMILESCCN(CC)C(C)c1nc(CCN)cs1
InChIInChI=1S/C11H21N3S/c1-4-14(5-2)9(3)11-13-10(6-7-12)8-15-11/h8-9H,4-7,12H2,1-3H3
InChIKeyACKPWEMJYUZYET-UHFFFAOYSA-N
XLogP2.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine?
The IUPAC name of 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine (CID 112501302) is 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine.
What is the SMILES notation for 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine?
The canonical SMILES for 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine is CCN(CC)C(C)c1nc(CCN)cs1.
What is the InChIKey of 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine?
The InChIKey is ACKPWEMJYUZYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-14(5-2)9(3)11-13-10(6-7-12)8-15-11/h8-9H,4-7,12H2,1-3H3.
What are the key properties of 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine?
1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine has a molecular weight of 227.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine is sourced from PubChem (CID 112501302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).