4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine

C20H17FN4OS — CID 71599357

IUPAC4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2cc3ccccc3s2)n1
InChIInChI=1S/C20H17FN4OS/c1-26-20-24-18(17-12-14-4-2-3-5-16(14)27-17)23-19(25-20)22-11-10-13-6-8-15(21)9-7-13/h2-9,12H,10-11H2,1H3,(H,22,23,24,25)
InChIKeyPBYCGHARSQYKRC-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.56
Rot. Bonds6

About 4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine

4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 71599357) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
PubChem CID71599357
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC Name4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2cc3ccccc3s2)n1
InChIInChI=1S/C20H17FN4OS/c1-26-20-24-18(17-12-14-4-2-3-5-16(14)27-17)23-19(25-20)22-11-10-13-6-8-15(21)9-7-13/h2-9,12H,10-11H2,1H3,(H,22,23,24,25)
InChIKeyPBYCGHARSQYKRC-UHFFFAOYSA-N
XLogP4.56
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine (CID 71599357) is 4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NCCc2ccc(F)cc2)nc(-c2cc3ccccc3s2)n1.
What is the InChIKey of 4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is PBYCGHARSQYKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-26-20-24-18(17-12-14-4-2-3-5-16(14)27-17)23-19(25-20)22-11-10-13-6-8-15(21)9-7-13/h2-9,12H,10-11H2,1H3,(H,22,23,24,25).
What are the key properties of 4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 380.45 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 71599357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).