5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

C24H24FN5OS — CID 87549404

IUPAC5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCOc1cc(Nc2nc3c(s2)CN(Cc2ccc(F)cc2)CC3)ccc1-c1ncc(C)[nH]1
InChIInChI=1S/C24H24FN5OS/c1-15-12-26-23(27-15)19-8-7-18(11-21(19)31-2)28-24-29-20-9-10-30(14-22(20)32-24)13-16-3-5-17(25)6-4-16/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyZIPHXTSNZIPEIY-UHFFFAOYSA-N
MW449.56 g/mol
LogP5.29
Rot. Bonds6

About 5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 87549404) has the molecular formula C24H24FN5OS and a molecular weight of 449.56 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID87549404
Molecular FormulaC24H24FN5OS
Molecular Weight449.56 g/mol
Exact Mass449.17
IUPAC Name5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCOc1cc(Nc2nc3c(s2)CN(Cc2ccc(F)cc2)CC3)ccc1-c1ncc(C)[nH]1
InChIInChI=1S/C24H24FN5OS/c1-15-12-26-23(27-15)19-8-7-18(11-21(19)31-2)28-24-29-20-9-10-30(14-22(20)32-24)13-16-3-5-17(25)6-4-16/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyZIPHXTSNZIPEIY-UHFFFAOYSA-N
XLogP5.29
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 87549404) is 5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is COc1cc(Nc2nc3c(s2)CN(Cc2ccc(F)cc2)CC3)ccc1-c1ncc(C)[nH]1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is ZIPHXTSNZIPEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5OS/c1-15-12-26-23(27-15)19-8-7-18(11-21(19)31-2)28-24-29-20-9-10-30(14-22(20)32-24)13-16-3-5-17(25)6-4-16/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 449.56 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 87549404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).