2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone

C12H19N5OS — CID 65275716

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)c1nc(C2CC2)ns1
InChIInChI=1S/C12H19N5OS/c1-16(8-10(18)17-6-4-13-5-7-17)12-14-11(15-19-12)9-2-3-9/h9,13H,2-8H2,1H3
InChIKeyVCUNOAUUNIDNBA-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.28
Rot. Bonds4

About 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone (PubChem CID 65275716) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone
PubChem CID65275716
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)c1nc(C2CC2)ns1
InChIInChI=1S/C12H19N5OS/c1-16(8-10(18)17-6-4-13-5-7-17)12-14-11(15-19-12)9-2-3-9/h9,13H,2-8H2,1H3
InChIKeyVCUNOAUUNIDNBA-UHFFFAOYSA-N
XLogP0.28
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-(1-cyclopropylethyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide
CID 71979073
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
1-Methyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65274053
N-isopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807130
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
CID 71913844
N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925917
3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide
CID 71988596
N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 75377037
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 75520974
N-[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 96567409
1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 97092985

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone (CID 65275716) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)c1nc(C2CC2)ns1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone?
The InChIKey is VCUNOAUUNIDNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-16(8-10(18)17-6-4-13-5-7-17)12-14-11(15-19-12)9-2-3-9/h9,13H,2-8H2,1H3.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone has a molecular weight of 281.38 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 65275716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).