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

C18H15N3OS — CID 15988957

IUPAC2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESCc1ccccc1Nc1c(-c2ccccc2O)nc2sccn12
InChIInChI=1S/C18H15N3OS/c1-12-6-2-4-8-14(12)19-17-16(13-7-3-5-9-15(13)22)20-18-21(17)10-11-23-18/h2-11,19,22H,1H3
InChIKeyHMGNQSPSDRGNKH-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.82
Rot. Bonds3

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

2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol (PubChem CID 15988957) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol.

Molecular Properties

Compound Name2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
PubChem CID15988957
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESCc1ccccc1Nc1c(-c2ccccc2O)nc2sccn12
InChIInChI=1S/C18H15N3OS/c1-12-6-2-4-8-14(12)19-17-16(13-7-3-5-9-15(13)22)20-18-21(17)10-11-23-18/h2-11,19,22H,1H3
InChIKeyHMGNQSPSDRGNKH-UHFFFAOYSA-N
XLogP4.82
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The IUPAC name of 2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol (CID 15988957) is 2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol.
What is the SMILES notation for 2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The canonical SMILES for 2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol is Cc1ccccc1Nc1c(-c2ccccc2O)nc2sccn12.
What is the InChIKey of 2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The InChIKey is HMGNQSPSDRGNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-12-6-2-4-8-14(12)19-17-16(13-7-3-5-9-15(13)22)20-18-21(17)10-11-23-18/h2-11,19,22H,1H3.
What are the key properties of 2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol has a molecular weight of 321.41 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol is sourced from PubChem (CID 15988957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).