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

C14H17N5OS — CID 110256203

IUPAC1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2cnc(Nc3nccs3)cn2)C1
InChIInChI=1S/C14H17N5OS/c1-10(20)19-5-2-3-11(9-19)12-7-17-13(8-16-12)18-14-15-4-6-21-14/h4,6-8,11H,2-3,5,9H2,1H3,(H,15,17,18)
InChIKeyJBPICFLDBPDOLM-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.40
Rot. Bonds3

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

1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110256203) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID110256203
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2cnc(Nc3nccs3)cn2)C1
InChIInChI=1S/C14H17N5OS/c1-10(20)19-5-2-3-11(9-19)12-7-17-13(8-16-12)18-14-15-4-6-21-14/h4,6-8,11H,2-3,5,9H2,1H3,(H,15,17,18)
InChIKeyJBPICFLDBPDOLM-UHFFFAOYSA-N
XLogP2.40
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095428
1-[(3S)-3-[5-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822423
2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256403
cyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 155985160
1-[(3S)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822419
1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822420
3-methyl-1-[(3S)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 125000494
2-methyl-1-[(3S)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 125009792
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820412
1-[3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110101486
1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95835868
1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110101484

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 110256203) is 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=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]ethanone?
The InChIKey is JBPICFLDBPDOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-10(20)19-5-2-3-11(9-19)12-7-17-13(8-16-12)18-14-15-4-6-21-14/h4,6-8,11H,2-3,5,9H2,1H3,(H,15,17,18).
What are the key properties of 1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 303.39 g/mol, XLogP of 2.40, 3 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]ethanone is sourced from PubChem (CID 110256203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).