2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol

C14H11N3S2 — CID 144895480

IUPAC2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol
SMILESNc1cc(-c2cccnc2)cc(-c2nccs2)c1S
InChIInChI=1S/C14H11N3S2/c15-12-7-10(9-2-1-3-16-8-9)6-11(13(12)18)14-17-4-5-19-14/h1-8,18H,15H2
InChIKeySQZGDBAKWYDOGZ-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.74
Rot. Bonds2

About 2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol

2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol (PubChem CID 144895480) has the molecular formula C14H11N3S2 and a molecular weight of 285.40 g/mol. Its IUPAC name is 2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol.

Molecular Properties

Compound Name2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol
PubChem CID144895480
Molecular FormulaC14H11N3S2
Molecular Weight285.40 g/mol
Exact Mass285.04
IUPAC Name2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol
SMILESNc1cc(-c2cccnc2)cc(-c2nccs2)c1S
InChIInChI=1S/C14H11N3S2/c15-12-7-10(9-2-1-3-16-8-9)6-11(13(12)18)14-17-4-5-19-14/h1-8,18H,15H2
InChIKeySQZGDBAKWYDOGZ-UHFFFAOYSA-N
XLogP3.74
TPSA51.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride
CID 175923522
2,4-dipyridin-3-ylaniline
CID 46316358
5-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboximidamide
CID 142785508
2-(2,5-diphenylphenyl)-1,3-thiazole
CID 71205549
3-(3,5-diphenylphenyl)pyridine
CID 141411458
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
4-fluoro-2,6-dipyridin-3-ylaniline
CID 46316799
cyclopenta[c]azepine
CID 638010
2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole
CID 99839545
3-pyridin-3-ylaniline;dihydrochloride
CID 21146183
5-pyridin-3-ylpyrimidine-2,4-diamine
CID 118493821
3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 66655074

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol?
The IUPAC name of 2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol (CID 144895480) is 2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol.
What is the SMILES notation for 2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol?
The canonical SMILES for 2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol is Nc1cc(-c2cccnc2)cc(-c2nccs2)c1S.
What is the InChIKey of 2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol?
The InChIKey is SQZGDBAKWYDOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S2/c15-12-7-10(9-2-1-3-16-8-9)6-11(13(12)18)14-17-4-5-19-14/h1-8,18H,15H2.
What are the key properties of 2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol?
2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol has a molecular weight of 285.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol is sourced from PubChem (CID 144895480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).