3-[5-(2-ethyl-6-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol

C20H19N3OS — CID 15988973

IUPAC3-[5-(2-ethyl-6-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESCCc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2sccn12
InChIInChI=1S/C20H19N3OS/c1-3-14-7-4-6-13(2)17(14)21-19-18(15-8-5-9-16(24)12-15)22-20-23(19)10-11-25-20/h4-12,21,24H,3H2,1-2H3
InChIKeyIPHXANNTNXEIIU-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.38
Rot. Bonds4

About 3-[5-(2-ethyl-6-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol

3-[5-(2-ethyl-6-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol (PubChem CID 15988973) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 3-[5-(2-ethyl-6-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol.

Molecular Properties

Compound Name3-[5-(2-ethyl-6-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
PubChem CID15988973
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name3-[5-(2-ethyl-6-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESCCc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2sccn12
InChIInChI=1S/C20H19N3OS/c1-3-14-7-4-6-13(2)17(14)21-19-18(15-8-5-9-16(24)12-15)22-20-23(19)10-11-25-20/h4-12,21,24H,3H2,1-2H3
InChIKeyIPHXANNTNXEIIU-UHFFFAOYSA-N
XLogP5.38
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-ethyl-6-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The IUPAC name of 3-[5-(2-ethyl-6-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol (CID 15988973) is 3-[5-(2-ethyl-6-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol.
What is the SMILES notation for 3-[5-(2-ethyl-6-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The canonical SMILES for 3-[5-(2-ethyl-6-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol is CCc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2sccn12.
What is the InChIKey of 3-[5-(2-ethyl-6-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The InChIKey is IPHXANNTNXEIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-3-14-7-4-6-13(2)17(14)21-19-18(15-8-5-9-16(24)12-15)22-20-23(19)10-11-25-20/h4-12,21,24H,3H2,1-2H3.
What are the key properties of 3-[5-(2-ethyl-6-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
3-[5-(2-ethyl-6-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol has a molecular weight of 349.46 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-ethyl-6-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol is sourced from PubChem (CID 15988973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).