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

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

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Related Compounds

2-Amino-5-thio-substituted thiazole 47
CID 5329674
2-Aminothiazole 3
CID 5329722
2-Aminothiazole 6
CID 5329723
2-Aminothiazole 7
CID 5329724
2-Aminothiazole 8
CID 5329725
1-Propanol, 3-[[[6-[[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]amino]-3-pyridinyl]methyl]amino]-2,2-dimethyl-
CID 5329727
5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-4-yl-1,3-thiazol-2-amine
CID 44331969
1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-(2,6-difluorophenyl)urea
CID 9931063
1-(2,6-difluorophenyl)-3-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea
CID 17979780
1-[5-[2-(5-Tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-(2,6-difluorophenyl)urea
CID 53732965
1-[5-[2-(5-Tert-butyl-1,3-oxazol-2-yl)-2-fluoroethenyl]-1,3-thiazol-2-yl]-3-(2,6-difluorophenyl)urea
CID 54232719
1-(2,6-Difluorophenyl)-3-[5-[2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea
CID 54275611

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).