5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine

C16H20N4S — CID 63783393

IUPAC5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCN(Cc1ccccc1)c1nc2sccn2c1CCN
InChIInChI=1S/C16H20N4S/c1-2-19(12-13-6-4-3-5-7-13)15-14(8-9-17)20-10-11-21-16(20)18-15/h3-7,10-11H,2,8-9,12,17H2,1H3
InChIKeyPSAFWDQQHQFASN-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.92
Rot. Bonds6

About 5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine

5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 63783393) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID63783393
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCN(Cc1ccccc1)c1nc2sccn2c1CCN
InChIInChI=1S/C16H20N4S/c1-2-19(12-13-6-4-3-5-7-13)15-14(8-9-17)20-10-11-21-16(20)18-15/h3-7,10-11H,2,8-9,12,17H2,1H3
InChIKeyPSAFWDQQHQFASN-UHFFFAOYSA-N
XLogP2.92
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine (CID 63783393) is 5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine is CCN(Cc1ccccc1)c1nc2sccn2c1CCN.
What is the InChIKey of 5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is PSAFWDQQHQFASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-2-19(12-13-6-4-3-5-7-13)15-14(8-9-17)20-10-11-21-16(20)18-15/h3-7,10-11H,2,8-9,12,17H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine?
5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 300.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 63783393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).