1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone

C9H15N5OS — CID 82477525

IUPAC1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nnc(CN)s2)CC1
InChIInChI=1S/C9H15N5OS/c1-7(15)13-2-4-14(5-3-13)9-12-11-8(6-10)16-9/h2-6,10H2,1H3
InChIKeyPXARFCVIOYQPBV-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.33
Rot. Bonds2

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

1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 82477525) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
PubChem CID82477525
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nnc(CN)s2)CC1
InChIInChI=1S/C9H15N5OS/c1-7(15)13-2-4-14(5-3-13)9-12-11-8(6-10)16-9/h2-6,10H2,1H3
InChIKeyPXARFCVIOYQPBV-UHFFFAOYSA-N
XLogP-0.33
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
CID 126758394
4-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbaldehyde
CID 82477524
1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 82058213
3-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid
CID 82473696
3-bromo-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 108729598
2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid
CID 78979372
3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid
CID 82477518
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
butyl 4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxylate
CID 108729541
methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate
CID 75382019
2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
CID 108753212
1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 174538507

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone (CID 82477525) is 1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nnc(CN)s2)CC1.
What is the InChIKey of 1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is PXARFCVIOYQPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-7(15)13-2-4-14(5-3-13)9-12-11-8(6-10)16-9/h2-6,10H2,1H3.
What are the key properties of 1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone?
1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 241.32 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 82477525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).