N-[1-[(4-fluorophenyl)methyl]indol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C23H17FN4S — CID 58791572

IUPACN-[1-[(4-fluorophenyl)methyl]indol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESFc1ccc(Cn2ccc3cc(Nc4nc(-c5cccnc5)cs4)ccc32)cc1
InChIInChI=1S/C23H17FN4S/c24-19-5-3-16(4-6-19)14-28-11-9-17-12-20(7-8-22(17)28)26-23-27-21(15-29-23)18-2-1-10-25-13-18/h1-13,15H,14H2,(H,26,27)
InChIKeyGNFIGVMJGNEOMI-UHFFFAOYSA-N
MW400.48 g/mol
LogP6.09
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]indol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[1-[(4-fluorophenyl)methyl]indol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 58791572) has the molecular formula C23H17FN4S and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]indol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]indol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID58791572
Molecular FormulaC23H17FN4S
Molecular Weight400.48 g/mol
Exact Mass400.12
IUPAC NameN-[1-[(4-fluorophenyl)methyl]indol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESFc1ccc(Cn2ccc3cc(Nc4nc(-c5cccnc5)cs4)ccc32)cc1
InChIInChI=1S/C23H17FN4S/c24-19-5-3-16(4-6-19)14-28-11-9-17-12-20(7-8-22(17)28)26-23-27-21(15-29-23)18-2-1-10-25-13-18/h1-13,15H,14H2,(H,26,27)
InChIKeyGNFIGVMJGNEOMI-UHFFFAOYSA-N
XLogP6.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]indol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]indol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 58791572) is N-[1-[(4-fluorophenyl)methyl]indol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]indol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]indol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is Fc1ccc(Cn2ccc3cc(Nc4nc(-c5cccnc5)cs4)ccc32)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]indol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is GNFIGVMJGNEOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4S/c24-19-5-3-16(4-6-19)14-28-11-9-17-12-20(7-8-22(17)28)26-23-27-21(15-29-23)18-2-1-10-25-13-18/h1-13,15H,14H2,(H,26,27).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]indol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[1-[(4-fluorophenyl)methyl]indol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 400.48 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]indol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58791572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).