ethane;2-(4-fluorophenoxy)-1-(2-piperazin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone

C22H33FN4O2S — CID 170947589

IUPACethane;2-(4-fluorophenoxy)-1-(2-piperazin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
SMILESCC.CC.O=C(COc1ccc(F)cc1)N1CCc2nc(N3CCNCC3)sc2C1
InChIInChI=1S/C18H21FN4O2S.2C2H6/c19-13-1-3-14(4-2-13)25-12-17(24)23-8-5-15-16(11-23)26-18(21-15)22-9-6-20-7-10-22;2*1-2/h1-4,20H,5-12H2;2*1-2H3
InChIKeyYWNQNQDCWOSYBI-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.71
Rot. Bonds4

About ethane;2-(4-fluorophenoxy)-1-(2-piperazin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone

ethane;2-(4-fluorophenoxy)-1-(2-piperazin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone (PubChem CID 170947589) has the molecular formula C22H33FN4O2S and a molecular weight of 436.60 g/mol. Its IUPAC name is ethane;2-(4-fluorophenoxy)-1-(2-piperazin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Nameethane;2-(4-fluorophenoxy)-1-(2-piperazin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
PubChem CID170947589
Molecular FormulaC22H33FN4O2S
Molecular Weight436.60 g/mol
Exact Mass436.23
IUPAC Nameethane;2-(4-fluorophenoxy)-1-(2-piperazin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
SMILESCC.CC.O=C(COc1ccc(F)cc1)N1CCc2nc(N3CCNCC3)sc2C1
InChIInChI=1S/C18H21FN4O2S.2C2H6/c19-13-1-3-14(4-2-13)25-12-17(24)23-8-5-15-16(11-23)26-18(21-15)22-9-6-20-7-10-22;2*1-2/h1-4,20H,5-12H2;2*1-2H3
InChIKeyYWNQNQDCWOSYBI-UHFFFAOYSA-N
XLogP3.71
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529381
methyl N-[5-[2-(4-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528879
2-(4-fluorophenoxy)-1-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 133309355
N-[5-(2-phenoxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525102
2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
CID 167771023
1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 43982607
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 133333041
1-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-propan-2-yloxyphenoxy)ethanone
CID 170947351
N-[5-(2-naphthalen-2-yloxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525107
1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-(4-fluorophenoxy)ethanone
CID 163350693
N-[5-[2-(4-methylphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526522
4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one
CID 31095507

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-fluorophenoxy)-1-(2-piperazin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
The IUPAC name of ethane;2-(4-fluorophenoxy)-1-(2-piperazin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone (CID 170947589) is ethane;2-(4-fluorophenoxy)-1-(2-piperazin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone.
What is the SMILES notation for ethane;2-(4-fluorophenoxy)-1-(2-piperazin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
The canonical SMILES for ethane;2-(4-fluorophenoxy)-1-(2-piperazin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone is CC.CC.O=C(COc1ccc(F)cc1)N1CCc2nc(N3CCNCC3)sc2C1.
What is the InChIKey of ethane;2-(4-fluorophenoxy)-1-(2-piperazin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
The InChIKey is YWNQNQDCWOSYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S.2C2H6/c19-13-1-3-14(4-2-13)25-12-17(24)23-8-5-15-16(11-23)26-18(21-15)22-9-6-20-7-10-22;2*1-2/h1-4,20H,5-12H2;2*1-2H3.
What are the key properties of ethane;2-(4-fluorophenoxy)-1-(2-piperazin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
ethane;2-(4-fluorophenoxy)-1-(2-piperazin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone has a molecular weight of 436.60 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-fluorophenoxy)-1-(2-piperazin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 170947589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).