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

C17H18N4OS — CID 59921760

IUPAC5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1cnc(/C=C\c2cnc(Nc3ccccn3)s2)o1
InChIInChI=1S/C17H18N4OS/c1-17(2,3)13-11-19-15(22-13)8-7-12-10-20-16(23-12)21-14-6-4-5-9-18-14/h4-11H,1-3H3,(H,18,20,21)/b8-7-
InChIKeyIHTBJFMJRPPWJF-FPLPWBNLSA-N
MW326.43 g/mol
LogP4.74
Rot. Bonds4

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

5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 59921760) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID59921760
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1cnc(/C=C\c2cnc(Nc3ccccn3)s2)o1
InChIInChI=1S/C17H18N4OS/c1-17(2,3)13-11-19-15(22-13)8-7-12-10-20-16(23-12)21-14-6-4-5-9-18-14/h4-11H,1-3H3,(H,18,20,21)/b8-7-
InChIKeyIHTBJFMJRPPWJF-FPLPWBNLSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 59921760) is 5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine is CC(C)(C)c1cnc(/C=C\c2cnc(Nc3ccccn3)s2)o1.
What is the InChIKey of 5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is IHTBJFMJRPPWJF-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-17(2,3)13-11-19-15(22-13)8-7-12-10-20-16(23-12)21-14-6-4-5-9-18-14/h4-11H,1-3H3,(H,18,20,21)/b8-7-.
What are the key properties of 5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-2-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-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 59921760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).