1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone

C17H29N5OS — CID 95785303

IUPAC1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCC(C)c1nsc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1
InChIInChI=1S/C17H29N5OS/c1-13(2)16-18-17(24-19-16)21-10-8-20(9-11-21)12-15(23)22-7-5-4-6-14(22)3/h13-14H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyAWAYQGIZRHTDSK-AWEZNQCLSA-N
MW351.52 g/mol
LogP2.18
Rot. Bonds4

About 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone

1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 95785303) has the molecular formula C17H29N5OS and a molecular weight of 351.52 g/mol. Its IUPAC name is 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
PubChem CID95785303
Molecular FormulaC17H29N5OS
Molecular Weight351.52 g/mol
Exact Mass351.21
IUPAC Name1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCC(C)c1nsc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1
InChIInChI=1S/C17H29N5OS/c1-13(2)16-18-17(24-19-16)21-10-8-20(9-11-21)12-15(23)22-7-5-4-6-14(22)3/h13-14H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyAWAYQGIZRHTDSK-AWEZNQCLSA-N
XLogP2.18
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone (CID 95785303) is 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone is CC(C)c1nsc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1.
What is the InChIKey of 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is AWAYQGIZRHTDSK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N5OS/c1-13(2)16-18-17(24-19-16)21-10-8-20(9-11-21)12-15(23)22-7-5-4-6-14(22)3/h13-14H,4-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 351.52 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 95785303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).