4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

C17H19N3O3S2 — CID 57108917

IUPAC4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESCc1csc(N(C)CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)n1
InChIInChI=1S/C17H19N3O3S2/c1-11-10-24-16(18-11)20(2)7-8-23-13-5-3-12(4-6-13)9-14-15(21)19-17(22)25-14/h3-6,10,21H,7-9H2,1-2H3,(H,19,22)
InChIKeyZUJLIWXAHDQMEI-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.01
Rot. Bonds7

About 4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 57108917) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
PubChem CID57108917
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESCc1csc(N(C)CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)n1
InChIInChI=1S/C17H19N3O3S2/c1-11-10-24-16(18-11)20(2)7-8-23-13-5-3-12(4-6-13)9-14-15(21)19-17(22)25-14/h3-6,10,21H,7-9H2,1-2H3,(H,19,22)
InChIKeyZUJLIWXAHDQMEI-UHFFFAOYSA-N
XLogP3.01
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one (CID 57108917) is 4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one is Cc1csc(N(C)CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)n1.
What is the InChIKey of 4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ZUJLIWXAHDQMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-11-10-24-16(18-11)20(2)7-8-23-13-5-3-12(4-6-13)9-14-15(21)19-17(22)25-14/h3-6,10,21H,7-9H2,1-2H3,(H,19,22).
What are the key properties of 4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 377.49 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 57108917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).