[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone

C21H17F2N5O2S — CID 95851671

IUPAC[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone
SMILESCc1onc(C(=O)N2CCc3nc(-c4cc(F)cc(F)c4)sc3C2)c1Cn1cccn1
InChIInChI=1S/C21H17F2N5O2S/c1-12-16(10-28-5-2-4-24-28)19(26-30-12)21(29)27-6-3-17-18(11-27)31-20(25-17)13-7-14(22)9-15(23)8-13/h2,4-5,7-9H,3,6,10-11H2,1H3
InChIKeyCZRDOLVTSWUASL-UHFFFAOYSA-N
MW441.46 g/mol
LogP3.83
Rot. Bonds4

About [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone

[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 95851671) has the molecular formula C21H17F2N5O2S and a molecular weight of 441.46 g/mol. Its IUPAC name is [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone
PubChem CID95851671
Molecular FormulaC21H17F2N5O2S
Molecular Weight441.46 g/mol
Exact Mass441.11
IUPAC Name[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone
SMILESCc1onc(C(=O)N2CCc3nc(-c4cc(F)cc(F)c4)sc3C2)c1Cn1cccn1
InChIInChI=1S/C21H17F2N5O2S/c1-12-16(10-28-5-2-4-24-28)19(26-30-12)21(29)27-6-3-17-18(11-27)31-20(25-17)13-7-14(22)9-15(23)8-13/h2,4-5,7-9H,3,6,10-11H2,1H3
InChIKeyCZRDOLVTSWUASL-UHFFFAOYSA-N
XLogP3.83
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone (CID 95851671) is [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone is Cc1onc(C(=O)N2CCc3nc(-c4cc(F)cc(F)c4)sc3C2)c1Cn1cccn1.
What is the InChIKey of [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is CZRDOLVTSWUASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2S/c1-12-16(10-28-5-2-4-24-28)19(26-30-12)21(29)27-6-3-17-18(11-27)31-20(25-17)13-7-14(22)9-15(23)8-13/h2,4-5,7-9H,3,6,10-11H2,1H3.
What are the key properties of [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone?
[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 441.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 95851671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).