4-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol

C18H15N3OS — CID 6625238

IUPAC4-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESCc1ccccc1Nc1c(-c2ccc(O)cc2)nc2sccn12
InChIInChI=1S/C18H15N3OS/c1-12-4-2-3-5-15(12)19-17-16(13-6-8-14(22)9-7-13)20-18-21(17)10-11-23-18/h2-11,19,22H,1H3
InChIKeyALNSILUOPUEKNW-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.82
Rot. Bonds3

About 4-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol

4-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol (PubChem CID 6625238) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
PubChem CID6625238
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name4-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESCc1ccccc1Nc1c(-c2ccc(O)cc2)nc2sccn12
InChIInChI=1S/C18H15N3OS/c1-12-4-2-3-5-15(12)19-17-16(13-6-8-14(22)9-7-13)20-18-21(17)10-11-23-18/h2-11,19,22H,1H3
InChIKeyALNSILUOPUEKNW-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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Related Compounds

3-[5-[2-[2-(5-Methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631875
4-[2-(4-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-phenol
CID 972804
4-[2-(Pyridin-2-ylamino)-1,3-thiazol-4-yl]phenol
CID 972900
4-(2,3-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenol
CID 700755
6-(4-Methoxyphenyl)imidazo[2,1-b]thiazole
CID 369507
4-[5-(2,6-Dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol
CID 7066908
N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-4-methylbenzenesulfonamide
CID 138607188
N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 138607201
4-hydroxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 138607223
3-[5-[2-[2-(1,1-Dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631831
3-[5-[2-[2-(4,4-Dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631879
3-[5-[2-[2-(5-Benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631891

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The IUPAC name of 4-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol (CID 6625238) is 4-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol.
What is the SMILES notation for 4-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The canonical SMILES for 4-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol is Cc1ccccc1Nc1c(-c2ccc(O)cc2)nc2sccn12.
What is the InChIKey of 4-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The InChIKey is ALNSILUOPUEKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-12-4-2-3-5-15(12)19-17-16(13-6-8-14(22)9-7-13)20-18-21(17)10-11-23-18/h2-11,19,22H,1H3.
What are the key properties of 4-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
4-[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 4-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol is sourced from PubChem (CID 6625238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).