[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

C18H15FN4O2S — CID 110270237

IUPAC[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCC1c1cncc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C18H15FN4O2S/c19-12-3-5-13(6-4-12)25-17-9-20-8-14(22-17)16-2-1-7-23(16)18(24)15-10-26-11-21-15/h3-6,8-11,16H,1-2,7H2
InChIKeyOMKCZRWDXUDCMZ-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.84
Rot. Bonds4

About [2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 110270237) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID110270237
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC Name[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCC1c1cncc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C18H15FN4O2S/c19-12-3-5-13(6-4-12)25-17-9-20-8-14(22-17)16-2-1-7-23(16)18(24)15-10-26-11-21-15/h3-6,8-11,16H,1-2,7H2
InChIKeyOMKCZRWDXUDCMZ-UHFFFAOYSA-N
XLogP3.84
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 110270195
[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 95843678
[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95843794
N-[[6-[(2R)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 95839584
[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95843583
[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 95843939
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 55142862
[(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125024045
2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95843435
[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110222467
2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110270026
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078

Frequently Asked Questions

What is the IUPAC name of [2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 110270237) is [2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCCC1c1cncc(Oc2ccc(F)cc2)n1.
What is the InChIKey of [2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is OMKCZRWDXUDCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c19-12-3-5-13(6-4-12)25-17-9-20-8-14(22-17)16-2-1-7-23(16)18(24)15-10-26-11-21-15/h3-6,8-11,16H,1-2,7H2.
What are the key properties of [2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 370.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 110270237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).