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

C19H16N4OS — CID 51002829

IUPAC4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3c(-c4ccccc4)noc3C)cs2)nc1
InChIInChI=1S/C19H16N4OS/c1-12-8-9-16(20-10-12)22-19-21-15(11-25-19)17-13(2)24-23-18(17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,20,21,22)
InChIKeyPTOSKTTZQOROLV-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.22
Rot. Bonds4

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

4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 51002829) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID51002829
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3c(-c4ccccc4)noc3C)cs2)nc1
InChIInChI=1S/C19H16N4OS/c1-12-8-9-16(20-10-12)22-19-21-15(11-25-19)17-13(2)24-23-18(17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,20,21,22)
InChIKeyPTOSKTTZQOROLV-UHFFFAOYSA-N
XLogP5.22
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 51002829) is 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3c(-c4ccccc4)noc3C)cs2)nc1.
What is the InChIKey of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is PTOSKTTZQOROLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-12-8-9-16(20-10-12)22-19-21-15(11-25-19)17-13(2)24-23-18(17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,20,21,22).
What are the key properties of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 348.43 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 51002829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).