1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone

C15H19N5OS — CID 95825744

IUPAC1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2Nc2ncc(C)s2)CC1
InChIInChI=1S/C15H19N5OS/c1-10-9-18-15(22-10)19-14-13(16-5-6-17-14)12-3-7-20(8-4-12)11(2)21/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,17,18,19)
InChIKeyRJLQLHMVUFUPPG-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.71
Rot. Bonds3

About 1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone

1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95825744) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95825744
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2Nc2ncc(C)s2)CC1
InChIInChI=1S/C15H19N5OS/c1-10-9-18-15(22-10)19-14-13(16-5-6-17-14)12-3-7-20(8-4-12)11(2)21/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,17,18,19)
InChIKeyRJLQLHMVUFUPPG-UHFFFAOYSA-N
XLogP2.71
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 175657223
1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821995
1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821987
1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110131717
5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 124987724
1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 95840649
1-[3-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 155985320
2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822153
(E)-1-[2-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
CID 132766631
1-[(3S)-3-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 124999407
1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175662745
N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide
CID 95825863

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95825744) is 1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nccnc2Nc2ncc(C)s2)CC1.
What is the InChIKey of 1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is RJLQLHMVUFUPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10-9-18-15(22-10)19-14-13(16-5-6-17-14)12-3-7-20(8-4-12)11(2)21/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 317.42 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95825744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).