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

C15H13N3O2S — CID 751859

IUPAC4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,2-diol
SMILESCc1cccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)n1
InChIInChI=1S/C15H13N3O2S/c1-9-3-2-4-14(16-9)18-15-17-11(8-21-15)10-5-6-12(19)13(20)7-10/h2-8,19-20H,1H3,(H,16,17,18)
InChIKeyZXYULNRJXNYFIE-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.67
Rot. Bonds3

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

4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,2-diol (PubChem CID 751859) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,2-diol
PubChem CID751859
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,2-diol
SMILESCc1cccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)n1
InChIInChI=1S/C15H13N3O2S/c1-9-3-2-4-14(16-9)18-15-17-11(8-21-15)10-5-6-12(19)13(20)7-10/h2-8,19-20H,1H3,(H,16,17,18)
InChIKeyZXYULNRJXNYFIE-UHFFFAOYSA-N
XLogP3.67
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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]benzene-1,2-diol?
The IUPAC name of 4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,2-diol (CID 751859) is 4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,2-diol?
The canonical SMILES for 4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,2-diol is Cc1cccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)n1.
What is the InChIKey of 4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,2-diol?
The InChIKey is ZXYULNRJXNYFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-3-2-4-14(16-9)18-15-17-11(8-21-15)10-5-6-12(19)13(20)7-10/h2-8,19-20H,1H3,(H,16,17,18).
What are the key properties of 4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,2-diol?
4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,2-diol has a molecular weight of 299.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 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]benzene-1,2-diol is sourced from PubChem (CID 751859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).