2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide

C11H19N5OS — CID 133328642

IUPAC2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
SMILESCCc1nsc(N2CCN(C(C)C(N)=O)CC2)n1
InChIInChI=1S/C11H19N5OS/c1-3-9-13-11(18-14-9)16-6-4-15(5-7-16)8(2)10(12)17/h8H,3-7H2,1-2H3,(H2,12,17)
InChIKeyIHPUHCYEOXDDGR-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.10
Rot. Bonds4

About 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide (PubChem CID 133328642) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
PubChem CID133328642
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
SMILESCCc1nsc(N2CCN(C(C)C(N)=O)CC2)n1
InChIInChI=1S/C11H19N5OS/c1-3-9-13-11(18-14-9)16-6-4-15(5-7-16)8(2)10(12)17/h8H,3-7H2,1-2H3,(H2,12,17)
InChIKeyIHPUHCYEOXDDGR-UHFFFAOYSA-N
XLogP0.10
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate
CID 124505890
3-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 119893652
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
4-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65270367
4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-one
CID 120565954
4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-one;dihydrochloride
CID 120565953
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77064349
methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate
CID 133328682
4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120597216
2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119899756
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 18136601
cyclopentyl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133332977

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide (CID 133328642) is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide is CCc1nsc(N2CCN(C(C)C(N)=O)CC2)n1.
What is the InChIKey of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide?
The InChIKey is IHPUHCYEOXDDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-3-9-13-11(18-14-9)16-6-4-15(5-7-16)8(2)10(12)17/h8H,3-7H2,1-2H3,(H2,12,17).
What are the key properties of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide?
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide has a molecular weight of 269.37 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 133328642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).