4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

C14H10N6S — CID 81129851

IUPAC4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cccc3ccsc23)nc(-n2ccnc2)n1
InChIInChI=1S/C14H10N6S/c15-13-17-12(18-14(19-13)20-6-5-16-8-20)10-3-1-2-9-4-7-21-11(9)10/h1-8H,(H2,15,17,18,19)
InChIKeyPDIXBEVZVABPGA-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.52
Rot. Bonds2

About 4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 81129851) has the molecular formula C14H10N6S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID81129851
Molecular FormulaC14H10N6S
Molecular Weight294.34 g/mol
Exact Mass294.07
IUPAC Name4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cccc3ccsc23)nc(-n2ccnc2)n1
InChIInChI=1S/C14H10N6S/c15-13-17-12(18-14(19-13)20-6-5-16-8-20)10-3-1-2-9-4-7-21-11(9)10/h1-8H,(H2,15,17,18,19)
InChIKeyPDIXBEVZVABPGA-UHFFFAOYSA-N
XLogP2.52
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 81129851) is 4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is Nc1nc(-c2cccc3ccsc23)nc(-n2ccnc2)n1.
What is the InChIKey of 4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PDIXBEVZVABPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6S/c15-13-17-12(18-14(19-13)20-6-5-16-8-20)10-3-1-2-9-4-7-21-11(9)10/h1-8H,(H2,15,17,18,19).
What are the key properties of 4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 294.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 81129851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).