(2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone

C19H18FN5OS — CID 155985450

IUPAC(2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(c2cncc(Nc3nccs3)n2)CC1
InChIInChI=1S/C19H18FN5OS/c20-15-4-2-1-3-14(15)18(26)25-8-5-13(6-9-25)16-11-21-12-17(23-16)24-19-22-7-10-27-19/h1-4,7,10-13H,5-6,8-9H2,(H,22,23,24)
InChIKeySSALVCNDZUIALK-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.84
Rot. Bonds4

About (2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone

(2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 155985450) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID155985450
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC Name(2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(c2cncc(Nc3nccs3)n2)CC1
InChIInChI=1S/C19H18FN5OS/c20-15-4-2-1-3-14(15)18(26)25-8-5-13(6-9-25)16-11-21-12-17(23-16)24-19-22-7-10-27-19/h1-4,7,10-13H,5-6,8-9H2,(H,22,23,24)
InChIKeySSALVCNDZUIALK-UHFFFAOYSA-N
XLogP3.84
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone (CID 155985450) is (2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone is O=C(c1ccccc1F)N1CCC(c2cncc(Nc3nccs3)n2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is SSALVCNDZUIALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c20-15-4-2-1-3-14(15)18(26)25-8-5-13(6-9-25)16-11-21-12-17(23-16)24-19-22-7-10-27-19/h1-4,7,10-13H,5-6,8-9H2,(H,22,23,24).
What are the key properties of (2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 383.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 155985450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).