(5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one

C14H20N6OS — CID 129003401

IUPAC(5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESCC(C)c1nsc(N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C14H20N6OS/c1-8(2)13-18-14(22-19-13)16-10-4-5-11(21)17-12(10)9-6-15-20(3)7-9/h6-8,10,12H,4-5H2,1-3H3,(H,17,21)(H,16,18,19)/t10-,12+/m1/s1
InChIKeyKSNWDWDHKIYMOT-PWSUYJOCSA-N
MW320.42 g/mol
LogP1.83
Rot. Bonds4

About (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one

(5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (PubChem CID 129003401) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
PubChem CID129003401
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name(5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESCC(C)c1nsc(N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C14H20N6OS/c1-8(2)13-18-14(22-19-13)16-10-4-5-11(21)17-12(10)9-6-15-20(3)7-9/h6-8,10,12H,4-5H2,1-3H3,(H,17,21)(H,16,18,19)/t10-,12+/m1/s1
InChIKeyKSNWDWDHKIYMOT-PWSUYJOCSA-N
XLogP1.83
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 129006946
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
CID 136581166
(5R,6S)-5-[(3-bromo-4-chlorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 154797040
(5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one
CID 128997201
(5R,6S)-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 129007087
(Z)-3-(4-methylphenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]prop-2-enamide
CID 98550561
(5R,6S)-5-[[(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 129474825
(5R,6S)-5-[[3-(2-methoxyethoxy)phenyl]methylamino]-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 129002540
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one
CID 129006867
2-chloro-3-fluoro-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]benzamide
CID 146136529
(5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 128993535
(5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 129339101

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The IUPAC name of (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (CID 129003401) is (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.
What is the SMILES notation for (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The canonical SMILES for (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is CC(C)c1nsc(N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)n1.
What is the InChIKey of (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The InChIKey is KSNWDWDHKIYMOT-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-8(2)13-18-14(22-19-13)16-10-4-5-11(21)17-12(10)9-6-15-20(3)7-9/h6-8,10,12H,4-5H2,1-3H3,(H,17,21)(H,16,18,19)/t10-,12+/m1/s1.
What are the key properties of (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
(5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one has a molecular weight of 320.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is sourced from PubChem (CID 129003401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).