N-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine

C18H22N4S — CID 110085428

IUPACN-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine
SMILESCCc1ccccc1Nc1nc(C2CCCNC2)c2sccn12
InChIInChI=1S/C18H22N4S/c1-2-13-6-3-4-8-15(13)20-18-21-16(14-7-5-9-19-12-14)17-22(18)10-11-23-17/h3-4,6,8,10-11,14,19H,2,5,7,9,12H2,1H3,(H,20,21)
InChIKeyMIXCZGUVQBEPSG-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.17
Rot. Bonds4

About N-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine

N-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine (PubChem CID 110085428) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine
PubChem CID110085428
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC NameN-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine
SMILESCCc1ccccc1Nc1nc(C2CCCNC2)c2sccn12
InChIInChI=1S/C18H22N4S/c1-2-13-6-3-4-8-15(13)20-18-21-16(14-7-5-9-19-12-14)17-22(18)10-11-23-17/h3-4,6,8,10-11,14,19H,2,5,7,9,12H2,1H3,(H,20,21)
InChIKeyMIXCZGUVQBEPSG-UHFFFAOYSA-N
XLogP4.17
TPSA41.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine?
The IUPAC name of N-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine (CID 110085428) is N-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for N-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine?
The canonical SMILES for N-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine is CCc1ccccc1Nc1nc(C2CCCNC2)c2sccn12.
What is the InChIKey of N-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine?
The InChIKey is MIXCZGUVQBEPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-2-13-6-3-4-8-15(13)20-18-21-16(14-7-5-9-19-12-14)17-22(18)10-11-23-17/h3-4,6,8,10-11,14,19H,2,5,7,9,12H2,1H3,(H,20,21).
What are the key properties of N-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine?
N-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine has a molecular weight of 326.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 110085428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).