5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine

C17H18N4OS — CID 72596590

IUPAC5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1cnc(C=Cc2cnc(Nc3cccnc3)s2)o1
InChIInChI=1S/C17H18N4OS/c1-17(2,3)14-11-19-15(22-14)7-6-13-10-20-16(23-13)21-12-5-4-8-18-9-12/h4-11H,1-3H3,(H,20,21)
InChIKeyPCKPAZPEBNNJOT-UHFFFAOYSA-N
MW326.43 g/mol
LogP4.74
Rot. Bonds4

About 5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine

5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 72596590) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID72596590
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1cnc(C=Cc2cnc(Nc3cccnc3)s2)o1
InChIInChI=1S/C17H18N4OS/c1-17(2,3)14-11-19-15(22-14)7-6-13-10-20-16(23-13)21-12-5-4-8-18-9-12/h4-11H,1-3H3,(H,20,21)
InChIKeyPCKPAZPEBNNJOT-UHFFFAOYSA-N
XLogP4.74
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 59921760
N-[5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
CID 59921767
2-[(E)-2-(2-bromo-1,3-thiazol-5-yl)ethenyl]-5-tert-butyl-1,3-oxazole
CID 22731087
1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea
CID 72596573
5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 2725837
1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-(1,1,3-trioxo-1,2-benzothiazol-6-yl)urea
CID 72596586
2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80570815
N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 57160436
5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide
CID 134103716
5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-amine;N-[4-(piperidine-1-carbonyl)phenyl]prop-2-enamide
CID 158675494
N-pyridin-3-ylpyrimidin-2-amine
CID 11593513
4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine
CID 23988926

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine (CID 72596590) is 5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine is CC(C)(C)c1cnc(C=Cc2cnc(Nc3cccnc3)s2)o1.
What is the InChIKey of 5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is PCKPAZPEBNNJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-17(2,3)14-11-19-15(22-14)7-6-13-10-20-16(23-13)21-12-5-4-8-18-9-12/h4-11H,1-3H3,(H,20,21).
What are the key properties of 5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine?
5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 326.43 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 72596590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).