1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one

C15H19N5OS — CID 110256368

IUPAC1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2cnc(Nc3nccs3)cn2)C1
InChIInChI=1S/C15H19N5OS/c1-2-14(21)20-6-3-4-11(10-20)12-8-18-13(9-17-12)19-15-16-5-7-22-15/h5,7-9,11H,2-4,6,10H2,1H3,(H,16,18,19)
InChIKeyRUEGJYRLHFQEAA-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.79
Rot. Bonds4

About 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one

1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 110256368) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID110256368
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2cnc(Nc3nccs3)cn2)C1
InChIInChI=1S/C15H19N5OS/c1-2-14(21)20-6-3-4-11(10-20)12-8-18-13(9-17-12)19-15-16-5-7-22-15/h5,7-9,11H,2-4,6,10H2,1H3,(H,16,18,19)
InChIKeyRUEGJYRLHFQEAA-UHFFFAOYSA-N
XLogP2.79
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 110256368) is 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(c2cnc(Nc3nccs3)cn2)C1.
What is the InChIKey of 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is RUEGJYRLHFQEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-2-14(21)20-6-3-4-11(10-20)12-8-18-13(9-17-12)19-15-16-5-7-22-15/h5,7-9,11H,2-4,6,10H2,1H3,(H,16,18,19).
What are the key properties of 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 317.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110256368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).