(3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one

C8H12N4OS — CID 164639743

IUPAC(3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one
SMILESC[C@H]1C(=O)NCCN1Cc1cnns1
InChIInChI=1S/C8H12N4OS/c1-6-8(13)9-2-3-12(6)5-7-4-10-11-14-7/h4,6H,2-3,5H2,1H3,(H,9,13)/t6-/m0/s1
InChIKeyXCSWOTHTVHURHV-LURJTMIESA-N
MW212.28 g/mol
LogP-0.14
Rot. Bonds2

About (3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one

(3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one (PubChem CID 164639743) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is (3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one
PubChem CID164639743
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name(3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one
SMILESC[C@H]1C(=O)NCCN1Cc1cnns1
InChIInChI=1S/C8H12N4OS/c1-6-8(13)9-2-3-12(6)5-7-4-10-11-14-7/h4,6H,2-3,5H2,1H3,(H,9,13)/t6-/m0/s1
InChIKeyXCSWOTHTVHURHV-LURJTMIESA-N
XLogP-0.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one?
The IUPAC name of (3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one (CID 164639743) is (3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one?
The canonical SMILES for (3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one is C[C@H]1C(=O)NCCN1Cc1cnns1.
What is the InChIKey of (3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one?
The InChIKey is XCSWOTHTVHURHV-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N4OS/c1-6-8(13)9-2-3-12(6)5-7-4-10-11-14-7/h4,6H,2-3,5H2,1H3,(H,9,13)/t6-/m0/s1.
What are the key properties of (3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one?
(3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one has a molecular weight of 212.28 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-(thiadiazol-5-ylmethyl)piperazin-2-one is sourced from PubChem (CID 164639743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).