(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one

C12H18N4O2S — CID 164639020

IUPAC(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
SMILESO=C1[C@@H](Nc2nc(C3CC3)ns2)CCCN1CCO
InChIInChI=1S/C12H18N4O2S/c17-7-6-16-5-1-2-9(11(16)18)13-12-14-10(15-19-12)8-3-4-8/h8-9,17H,1-7H2,(H,13,14,15)/t9-/m0/s1
InChIKeyHHONUSIQUWHBRX-VIFPVBQESA-N
MW282.37 g/mol
LogP0.81
Rot. Bonds5

About (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one

(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one (PubChem CID 164639020) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
PubChem CID164639020
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
SMILESO=C1[C@@H](Nc2nc(C3CC3)ns2)CCCN1CCO
InChIInChI=1S/C12H18N4O2S/c17-7-6-16-5-1-2-9(11(16)18)13-12-14-10(15-19-12)8-3-4-8/h8-9,17H,1-7H2,(H,13,14,15)/t9-/m0/s1
InChIKeyHHONUSIQUWHBRX-VIFPVBQESA-N
XLogP0.81
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one with MolForge

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Related Compounds

1-Methyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65274053
4-Methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 119037726
2-[4-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]acetamide
CID 65270897
5-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one
CID 65274054
5-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65274097
5-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65274153
Piperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone
CID 65276144
[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 65276198
3-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65276354
3-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65276356
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65276357
3-[(3-Propyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65276409

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one?
The IUPAC name of (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one (CID 164639020) is (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one.
What is the SMILES notation for (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one?
The canonical SMILES for (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one is O=C1[C@@H](Nc2nc(C3CC3)ns2)CCCN1CCO.
What is the InChIKey of (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one?
The InChIKey is HHONUSIQUWHBRX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O2S/c17-7-6-16-5-1-2-9(11(16)18)13-12-14-10(15-19-12)8-3-4-8/h8-9,17H,1-7H2,(H,13,14,15)/t9-/m0/s1.
What are the key properties of (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one?
(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one has a molecular weight of 282.37 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one is sourced from PubChem (CID 164639020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).