2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C12H20N6OS — CID 102575646

IUPAC2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESNc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)s1
InChIInChI=1S/C12H20N6OS/c13-11-14-15-12(20-11)18-7-5-16(6-8-18)9-10(19)17-3-1-2-4-17/h1-9H2,(H2,13,14)
InChIKeyUVNYBYBCXMGRHN-UHFFFAOYSA-N
MW296.40 g/mol
LogP-0.14
Rot. Bonds3

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

2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 102575646) has the molecular formula C12H20N6OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID102575646
Molecular FormulaC12H20N6OS
Molecular Weight296.40 g/mol
Exact Mass296.14
IUPAC Name2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESNc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)s1
InChIInChI=1S/C12H20N6OS/c13-11-14-15-12(20-11)18-7-5-16(6-8-18)9-10(19)17-3-1-2-4-17/h1-9H2,(H2,13,14)
InChIKeyUVNYBYBCXMGRHN-UHFFFAOYSA-N
XLogP-0.14
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120897637
1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 174538507
2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 71131603
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 78845354
5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine
CID 146043275
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid
CID 122172593
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
2-[4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 25468496
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 102575646) is 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is Nc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)s1.
What is the InChIKey of 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is UVNYBYBCXMGRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6OS/c13-11-14-15-12(20-11)18-7-5-16(6-8-18)9-10(19)17-3-1-2-4-17/h1-9H2,(H2,13,14).
What are the key properties of 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 296.40 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 102575646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).