5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C18H21FN4OS — CID 167073577

IUPAC5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1CCCF
InChIInChI=1S/C18H21FN4OS/c19-7-3-10-23-11-6-14-16(18(23)24)25-17(21-14)13-4-5-15(20-12-13)22-8-1-2-9-22/h4-5,12H,1-3,6-11H2
InChIKeyCZWACPSENKSCJV-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.16
Rot. Bonds5

About 5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 167073577) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID167073577
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC Name5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1CCCF
InChIInChI=1S/C18H21FN4OS/c19-7-3-10-23-11-6-14-16(18(23)24)25-17(21-14)13-4-5-15(20-12-13)22-8-1-2-9-22/h4-5,12H,1-3,6-11H2
InChIKeyCZWACPSENKSCJV-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 167073577) is 5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1CCCF.
What is the InChIKey of 5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is CZWACPSENKSCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS/c19-7-3-10-23-11-6-14-16(18(23)24)25-17(21-14)13-4-5-15(20-12-13)22-8-1-2-9-22/h4-5,12H,1-3,6-11H2.
What are the key properties of 5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 360.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 167073577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).