4-pyridin-2-yl-5-quinolin-2-yl-1,3-thiazol-2-amine

C17H12N4S — CID 11403950

IUPAC4-pyridin-2-yl-5-quinolin-2-yl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccn2)c(-c2ccc3ccccc3n2)s1
InChIInChI=1S/C17H12N4S/c18-17-21-15(13-7-3-4-10-19-13)16(22-17)14-9-8-11-5-1-2-6-12(11)20-14/h1-10H,(H2,18,21)
InChIKeyXYMCAGVJYOESBU-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.00
Rot. Bonds2

About 4-pyridin-2-yl-5-quinolin-2-yl-1,3-thiazol-2-amine

4-pyridin-2-yl-5-quinolin-2-yl-1,3-thiazol-2-amine (PubChem CID 11403950) has the molecular formula C17H12N4S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-pyridin-2-yl-5-quinolin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-pyridin-2-yl-5-quinolin-2-yl-1,3-thiazol-2-amine
PubChem CID11403950
Molecular FormulaC17H12N4S
Molecular Weight304.38 g/mol
Exact Mass304.08
IUPAC Name4-pyridin-2-yl-5-quinolin-2-yl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccn2)c(-c2ccc3ccccc3n2)s1
InChIInChI=1S/C17H12N4S/c18-17-21-15(13-7-3-4-10-19-13)16(22-17)14-9-8-11-5-1-2-6-12(11)20-14/h1-10H,(H2,18,21)
InChIKeyXYMCAGVJYOESBU-UHFFFAOYSA-N
XLogP4.00
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-5-quinolin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-pyridin-2-yl-5-quinolin-2-yl-1,3-thiazol-2-amine (CID 11403950) is 4-pyridin-2-yl-5-quinolin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-pyridin-2-yl-5-quinolin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-pyridin-2-yl-5-quinolin-2-yl-1,3-thiazol-2-amine is Nc1nc(-c2ccccn2)c(-c2ccc3ccccc3n2)s1.
What is the InChIKey of 4-pyridin-2-yl-5-quinolin-2-yl-1,3-thiazol-2-amine?
The InChIKey is XYMCAGVJYOESBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4S/c18-17-21-15(13-7-3-4-10-19-13)16(22-17)14-9-8-11-5-1-2-6-12(11)20-14/h1-10H,(H2,18,21).
What are the key properties of 4-pyridin-2-yl-5-quinolin-2-yl-1,3-thiazol-2-amine?
4-pyridin-2-yl-5-quinolin-2-yl-1,3-thiazol-2-amine has a molecular weight of 304.38 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-5-quinolin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 11403950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).