[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methanamine

C22H18FN3S — CID 57399545

IUPAC[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1
InChIInChI=1S/C22H18FN3S/c23-17-12-14(13-24)6-7-16(17)20-25-18-8-9-19(26-21(18)27-20)22(10-11-22)15-4-2-1-3-5-15/h1-9,12H,10-11,13,24H2
InChIKeyPLHJVZIWOLPJKO-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.04
Rot. Bonds4

About [3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methanamine

[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methanamine (PubChem CID 57399545) has the molecular formula C22H18FN3S and a molecular weight of 375.47 g/mol. Its IUPAC name is [3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methanamine
PubChem CID57399545
Molecular FormulaC22H18FN3S
Molecular Weight375.47 g/mol
Exact Mass375.12
IUPAC Name[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1
InChIInChI=1S/C22H18FN3S/c23-17-12-14(13-24)6-7-16(17)20-25-18-8-9-19(26-21(18)27-20)22(10-11-22)15-4-2-1-3-5-15/h1-9,12H,10-11,13,24H2
InChIKeyPLHJVZIWOLPJKO-UHFFFAOYSA-N
XLogP5.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-4-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]butanoic acid
CID 57401335
(2S)-2-amino-4-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]butanoic acid
CID 57401336
3-(3-Fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl)phenylamino)propanoic acid
CID 44599686
4-(3-Fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl)phenylamino)butanoic acid
CID 44599687
4-[[3-Fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methylamino]butanoic acid
CID 44600329
3-Azetidinecarboxylic acid, 1-[[3-fluoro-4-[5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl]phenyl]Methyl]-
CID 44600476
4-(3-Fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl)phenyl)butanoic acid
CID 44600484
N-(3-fluoro-4-(5-(1-phenylcyclopropyl)[1,3]thiazolo[5,4-b]pyridin-2-yl)-benzyl)glycine
CID 57396172
2-(3-Fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl)phenyl)ethanamine
CID 57397896
N-(2-(3-fluoro-4-(5-(1-phenylcyclopropyl)[1,3]thiazolo[5,4-b]pyridin-2-yl)-phenyl)ethyl)glycine
CID 57397897
2-(2-Fluorophenyl)-5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridine
CID 57397984
3-Fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl)benzenamine
CID 57403052

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methanamine (CID 57399545) is [3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methanamine is NCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1.
What is the InChIKey of [3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methanamine?
The InChIKey is PLHJVZIWOLPJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3S/c23-17-12-14(13-24)6-7-16(17)20-25-18-8-9-19(26-21(18)27-20)22(10-11-22)15-4-2-1-3-5-15/h1-9,12H,10-11,13,24H2.
What are the key properties of [3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methanamine?
[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methanamine has a molecular weight of 375.47 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methanamine is sourced from PubChem (CID 57399545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).