4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine

C17H12N4OS — CID 51002930

IUPAC4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine
SMILESc1ccc(-c2cc(-c3csc(Nc4ccncc4)n3)on2)cc1
InChIInChI=1S/C17H12N4OS/c1-2-4-12(5-3-1)14-10-16(22-21-14)15-11-23-17(20-15)19-13-6-8-18-9-7-13/h1-11H,(H,18,19,20)
InChIKeyQWQZXZMHZAUXNQ-UHFFFAOYSA-N
MW320.38 g/mol
LogP4.60
Rot. Bonds4

About 4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine

4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 51002930) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID51002930
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine
SMILESc1ccc(-c2cc(-c3csc(Nc4ccncc4)n3)on2)cc1
InChIInChI=1S/C17H12N4OS/c1-2-4-12(5-3-1)14-10-16(22-21-14)15-11-23-17(20-15)19-13-6-8-18-9-7-13/h1-11H,(H,18,19,20)
InChIKeyQWQZXZMHZAUXNQ-UHFFFAOYSA-N
XLogP4.60
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine (CID 51002930) is 4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine is c1ccc(-c2cc(-c3csc(Nc4ccncc4)n3)on2)cc1.
What is the InChIKey of 4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is QWQZXZMHZAUXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c1-2-4-12(5-3-1)14-10-16(22-21-14)15-11-23-17(20-15)19-13-6-8-18-9-7-13/h1-11H,(H,18,19,20).
What are the key properties of 4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine?
4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 320.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 51002930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).