[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone

C20H16ClFN2OS — CID 45488973

IUPAC[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCc2nc(Cc3ccc(F)cc3Cl)sc2C1
InChIInChI=1S/C20H16ClFN2OS/c21-16-11-15(22)7-6-14(16)10-19-23-17-8-9-24(12-18(17)26-19)20(25)13-4-2-1-3-5-13/h1-7,11H,8-10,12H2
InChIKeyCNRJCQYYBNSMED-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.72
Rot. Bonds3

About [2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone

[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone (PubChem CID 45488973) has the molecular formula C20H16ClFN2OS and a molecular weight of 386.88 g/mol. Its IUPAC name is [2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone
PubChem CID45488973
Molecular FormulaC20H16ClFN2OS
Molecular Weight386.88 g/mol
Exact Mass386.07
IUPAC Name[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCc2nc(Cc3ccc(F)cc3Cl)sc2C1
InChIInChI=1S/C20H16ClFN2OS/c21-16-11-15(22)7-6-14(16)10-19-23-17-8-9-24(12-18(17)26-19)20(25)13-4-2-1-3-5-13/h1-7,11H,8-10,12H2
InChIKeyCNRJCQYYBNSMED-UHFFFAOYSA-N
XLogP4.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone?
The IUPAC name of [2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone (CID 45488973) is [2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone.
What is the SMILES notation for [2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone?
The canonical SMILES for [2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone is O=C(c1ccccc1)N1CCc2nc(Cc3ccc(F)cc3Cl)sc2C1.
What is the InChIKey of [2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone?
The InChIKey is CNRJCQYYBNSMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2OS/c21-16-11-15(22)7-6-14(16)10-19-23-17-8-9-24(12-18(17)26-19)20(25)13-4-2-1-3-5-13/h1-7,11H,8-10,12H2.
What are the key properties of [2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone?
[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone has a molecular weight of 386.88 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone is sourced from PubChem (CID 45488973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).