[4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate

C17H15N3O2S — CID 1092437

IUPAC[4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2csc(Nc3cccc(C)n3)n2)cc1
InChIInChI=1S/C17H15N3O2S/c1-11-4-3-5-16(18-11)20-17-19-15(10-23-17)13-6-8-14(9-7-13)22-12(2)21/h3-10H,1-2H3,(H,18,19,20)
InChIKeyYWLPLYMUDUAYAV-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.18
Rot. Bonds4

About [4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate

[4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate (PubChem CID 1092437) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is [4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate.

Molecular Properties

Compound Name[4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate
PubChem CID1092437
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name[4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2csc(Nc3cccc(C)n3)n2)cc1
InChIInChI=1S/C17H15N3O2S/c1-11-4-3-5-16(18-11)20-17-19-15(10-23-17)13-6-8-14(9-7-13)22-12(2)21/h3-10H,1-2H3,(H,18,19,20)
InChIKeyYWLPLYMUDUAYAV-UHFFFAOYSA-N
XLogP4.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate?
The IUPAC name of [4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate (CID 1092437) is [4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate.
What is the SMILES notation for [4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate?
The canonical SMILES for [4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate is CC(=O)Oc1ccc(-c2csc(Nc3cccc(C)n3)n2)cc1.
What is the InChIKey of [4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate?
The InChIKey is YWLPLYMUDUAYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11-4-3-5-16(18-11)20-17-19-15(10-23-17)13-6-8-14(9-7-13)22-12(2)21/h3-10H,1-2H3,(H,18,19,20).
What are the key properties of [4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate?
[4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate has a molecular weight of 325.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate is sourced from PubChem (CID 1092437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).