4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine

C11H9ClN4S — CID 83240330

IUPAC4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2Cc3ccccc3S2)n1
InChIInChI=1S/C11H9ClN4S/c12-10-14-9(15-11(13)16-10)8-5-6-3-1-2-4-7(6)17-8/h1-4,8H,5H2,(H2,13,14,15,16)
InChIKeyISFPXQIEGYITOA-UHFFFAOYSA-N
MW264.74 g/mol
LogP2.50
Rot. Bonds1

About 4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine

4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine (PubChem CID 83240330) has the molecular formula C11H9ClN4S and a molecular weight of 264.74 g/mol. Its IUPAC name is 4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine
PubChem CID83240330
Molecular FormulaC11H9ClN4S
Molecular Weight264.74 g/mol
Exact Mass264.02
IUPAC Name4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2Cc3ccccc3S2)n1
InChIInChI=1S/C11H9ClN4S/c12-10-14-9(15-11(13)16-10)8-5-6-3-1-2-4-7(6)17-8/h1-4,8H,5H2,(H2,13,14,15,16)
InChIKeyISFPXQIEGYITOA-UHFFFAOYSA-N
XLogP2.50
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine (CID 83240330) is 4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(C2Cc3ccccc3S2)n1.
What is the InChIKey of 4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is ISFPXQIEGYITOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S/c12-10-14-9(15-11(13)16-10)8-5-6-3-1-2-4-7(6)17-8/h1-4,8H,5H2,(H2,13,14,15,16).
What are the key properties of 4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 264.74 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83240330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).