2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine

C18H14N8S — CID 59023718

IUPAC2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(Nc2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)n1
InChIInChI=1S/C18H14N8S/c19-16-23-17(20)25-18(24-16)22-11-5-10-8-21-26-15(10)12(7-11)14-6-9-3-1-2-4-13(9)27-14/h1-8H,(H,21,26)(H5,19,20,22,23,24,25)
InChIKeyLXDSIZAVSQKEIZ-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.54
Rot. Bonds3

About 2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine

2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 59023718) has the molecular formula C18H14N8S and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine
PubChem CID59023718
Molecular FormulaC18H14N8S
Molecular Weight374.43 g/mol
Exact Mass374.11
IUPAC Name2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(Nc2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)n1
InChIInChI=1S/C18H14N8S/c19-16-23-17(20)25-18(24-16)22-11-5-10-8-21-26-15(10)12(7-11)14-6-9-3-1-2-4-13(9)27-14/h1-8H,(H,21,26)(H5,19,20,22,23,24,25)
InChIKeyLXDSIZAVSQKEIZ-UHFFFAOYSA-N
XLogP3.54
TPSA131.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine (CID 59023718) is 2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(Nc2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)n1.
What is the InChIKey of 2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LXDSIZAVSQKEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8S/c19-16-23-17(20)25-18(24-16)22-11-5-10-8-21-26-15(10)12(7-11)14-6-9-3-1-2-4-13(9)27-14/h1-8H,(H,21,26)(H5,19,20,22,23,24,25).
What are the key properties of 2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine?
2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 374.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 59023718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).