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

C17H25N5OS — CID 129338112

IUPAC1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one
SMILESCC(C)c1cnc(CN[C@H]2CCCN(c3nccn(C)c3=O)C2)s1
InChIInChI=1S/C17H25N5OS/c1-12(2)14-9-20-15(24-14)10-19-13-5-4-7-22(11-13)16-17(23)21(3)8-6-18-16/h6,8-9,12-13,19H,4-5,7,10-11H2,1-3H3/t13-/m0/s1
InChIKeyMOZVKLAHZZOULF-ZDUSSCGKSA-N
MW347.49 g/mol
LogP2.12
Rot. Bonds5

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

1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one (PubChem CID 129338112) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one
PubChem CID129338112
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one
SMILESCC(C)c1cnc(CN[C@H]2CCCN(c3nccn(C)c3=O)C2)s1
InChIInChI=1S/C17H25N5OS/c1-12(2)14-9-20-15(24-14)10-19-13-5-4-7-22(11-13)16-17(23)21(3)8-6-18-16/h6,8-9,12-13,19H,4-5,7,10-11H2,1-3H3/t13-/m0/s1
InChIKeyMOZVKLAHZZOULF-ZDUSSCGKSA-N
XLogP2.12
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one with MolForge

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Related Compounds

1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129344132
3-[(3R)-3-[[(2R)-1-methoxypropan-2-yl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475575
3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129343468
5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile
CID 129343150
1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129342215
3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 128976310
tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
CID 99817733
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129474458
3-[3-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 154736082
3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128965839

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one (CID 129338112) is 1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one is CC(C)c1cnc(CN[C@H]2CCCN(c3nccn(C)c3=O)C2)s1.
What is the InChIKey of 1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
The InChIKey is MOZVKLAHZZOULF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-12(2)14-9-20-15(24-14)10-19-13-5-4-7-22(11-13)16-17(23)21(3)8-6-18-16/h6,8-9,12-13,19H,4-5,7,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one has a molecular weight of 347.49 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 129338112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).