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

C24H22FN3S — CID 57392608

IUPAC3-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]propan-1-amine
SMILESNCCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1
InChIInChI=1S/C24H22FN3S/c25-19-15-16(5-4-14-26)8-9-18(19)22-27-20-10-11-21(28-23(20)29-22)24(12-13-24)17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-14,26H2
InChIKeyUYMTYNVKQWDVSC-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.47
Rot. Bonds6

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

3-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]propan-1-amine (PubChem CID 57392608) has the molecular formula C24H22FN3S and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]propan-1-amine
PubChem CID57392608
Molecular FormulaC24H22FN3S
Molecular Weight403.53 g/mol
Exact Mass403.15
IUPAC Name3-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]propan-1-amine
SMILESNCCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1
InChIInChI=1S/C24H22FN3S/c25-19-15-16(5-4-14-26)8-9-18(19)22-27-20-10-11-21(28-23(20)29-22)24(12-13-24)17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-14,26H2
InChIKeyUYMTYNVKQWDVSC-UHFFFAOYSA-N
XLogP5.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]propan-1-amine?
The IUPAC name of 3-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]propan-1-amine (CID 57392608) is 3-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]propan-1-amine?
The canonical SMILES for 3-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]propan-1-amine is NCCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1.
What is the InChIKey of 3-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]propan-1-amine?
The InChIKey is UYMTYNVKQWDVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3S/c25-19-15-16(5-4-14-26)8-9-18(19)22-27-20-10-11-21(28-23(20)29-22)24(12-13-24)17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-14,26H2.
What are the key properties of 3-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]propan-1-amine?
3-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]propan-1-amine has a molecular weight of 403.53 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]propan-1-amine is sourced from PubChem (CID 57392608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).