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

C15H13N3O2S — CID 751911

IUPAC4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESCc1cccc(Nc2nc(-c3ccc(O)cc3O)cs2)n1
InChIInChI=1S/C15H13N3O2S/c1-9-3-2-4-14(16-9)18-15-17-12(8-21-15)11-6-5-10(19)7-13(11)20/h2-8,19-20H,1H3,(H,16,17,18)
InChIKeyQLYAYLLNMYASPE-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.67
Rot. Bonds3

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

4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,3-diol (PubChem CID 751911) 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-1,3-diol.

Molecular Properties

Compound Name4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,3-diol
PubChem CID751911
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESCc1cccc(Nc2nc(-c3ccc(O)cc3O)cs2)n1
InChIInChI=1S/C15H13N3O2S/c1-9-3-2-4-14(16-9)18-15-17-12(8-21-15)11-6-5-10(19)7-13(11)20/h2-8,19-20H,1H3,(H,16,17,18)
InChIKeyQLYAYLLNMYASPE-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

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Related Compounds

N-(4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl)-2-methylpropanamide
CID 71543007
4-[2-(Pyridin-2-ylamino)-thiazol-4-yl]-benzene-1,2-diol
CID 434633
3-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)phenol
CID 3324368
4-[2-(4-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-benzene-1,2-diol
CID 751866
4-[2-(Pyridin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 751906
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-Amino-1,3-thiazol-4-yl)benzene-1,3-diol
CID 767450
4-[[4-(2,4-Dihydroxyphenyl)-2-thiazolyl]amino]-2-(trifluoromethyl)benzonitrile
CID 25110544
4-(4-methoxy-3-methylphenyl)-N-(6-methylpyridin-2-yl)-1,3-thiazol-2-amine
CID 751820
4-[2-(6-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-benzene-1,2-diol
CID 751859
4-[2-(4-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-benzene-1,3-diol
CID 806165

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,3-diol?
The IUPAC name of 4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,3-diol (CID 751911) is 4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,3-diol?
The canonical SMILES for 4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,3-diol is Cc1cccc(Nc2nc(-c3ccc(O)cc3O)cs2)n1.
What is the InChIKey of 4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,3-diol?
The InChIKey is QLYAYLLNMYASPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-3-2-4-14(16-9)18-15-17-12(8-21-15)11-6-5-10(19)7-13(11)20/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-1,3-diol?
4-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]benzene-1,3-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-1,3-diol is sourced from PubChem (CID 751911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).