2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol

C16H14N4OS — CID 135445415

IUPAC2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol
SMILESCc1ccsc1/C=C/c1nc(N)nc(-c2ccccc2O)n1
InChIInChI=1S/C16H14N4OS/c1-10-8-9-22-13(10)6-7-14-18-15(20-16(17)19-14)11-4-2-3-5-12(11)21/h2-9,21H,1H3,(H2,17,18,19,20)/b7-6+
InChIKeyLYXVHWMMKGFVBV-VOTSOKGWSA-N
MW310.38 g/mol
LogP3.37
Rot. Bonds3

About 2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol

2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol (PubChem CID 135445415) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol
PubChem CID135445415
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol
SMILESCc1ccsc1/C=C/c1nc(N)nc(-c2ccccc2O)n1
InChIInChI=1S/C16H14N4OS/c1-10-8-9-22-13(10)6-7-14-18-15(20-16(17)19-14)11-4-2-3-5-12(11)21/h2-9,21H,1H3,(H2,17,18,19,20)/b7-6+
InChIKeyLYXVHWMMKGFVBV-VOTSOKGWSA-N
XLogP3.37
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol (CID 135445415) is 2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol is Cc1ccsc1/C=C/c1nc(N)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol?
The InChIKey is LYXVHWMMKGFVBV-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-10-8-9-22-13(10)6-7-14-18-15(20-16(17)19-14)11-4-2-3-5-12(11)21/h2-9,21H,1H3,(H2,17,18,19,20)/b7-6+.
What are the key properties of 2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol?
2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol has a molecular weight of 310.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 135445415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).