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

C18H14N4OS — CID 51002828

IUPACN-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3cc(-c4ccccc4)no3)cs2)nc1
InChIInChI=1S/C18H14N4OS/c1-12-7-8-17(19-10-12)21-18-20-15(11-24-18)16-9-14(22-23-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,21)
InChIKeyNEAMMYXVQHLVHS-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.91
Rot. Bonds4

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

N-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 51002828) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
PubChem CID51002828
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3cc(-c4ccccc4)no3)cs2)nc1
InChIInChI=1S/C18H14N4OS/c1-12-7-8-17(19-10-12)21-18-20-15(11-24-18)16-9-14(22-23-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,21)
InChIKeyNEAMMYXVQHLVHS-UHFFFAOYSA-N
XLogP4.91
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine (CID 51002828) is N-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3cc(-c4ccccc4)no3)cs2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is NEAMMYXVQHLVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-12-7-8-17(19-10-12)21-18-20-15(11-24-18)16-9-14(22-23-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,21).
What are the key properties of N-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine?
N-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 334.40 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 51002828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).