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

C8H15N5OS — CID 57317270

IUPAC2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-2-yl]ethanol
SMILESNc1nnc(N2CCNC(CCO)C2)s1
InChIInChI=1S/C8H15N5OS/c9-7-11-12-8(15-7)13-3-2-10-6(5-13)1-4-14/h6,10,14H,1-5H2,(H2,9,11)
InChIKeyVBPSCMRRAHQMKH-UHFFFAOYSA-N
MW229.31 g/mol
LogP-0.72
Rot. Bonds3

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

2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-2-yl]ethanol (PubChem CID 57317270) has the molecular formula C8H15N5OS and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-2-yl]ethanol
PubChem CID57317270
Molecular FormulaC8H15N5OS
Molecular Weight229.31 g/mol
Exact Mass229.10
IUPAC Name2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-2-yl]ethanol
SMILESNc1nnc(N2CCNC(CCO)C2)s1
InChIInChI=1S/C8H15N5OS/c9-7-11-12-8(15-7)13-3-2-10-6(5-13)1-4-14/h6,10,14H,1-5H2,(H2,9,11)
InChIKeyVBPSCMRRAHQMKH-UHFFFAOYSA-N
XLogP-0.72
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol
CID 68709720
2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole
CID 65209428
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid
CID 122172593
5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine
CID 121256433
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 6917210
2-[(2S)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-2-yl]ethanol
CID 134183970
2-[4-(4-isothiocyanatophenyl)piperazin-2-yl]ethanol
CID 139993302
5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1,3,4-thiadiazol-2-amine
CID 155917501
1-(5-amino-1,3,4-thiadiazol-2-yl)-N,N-diethylpiperidine-3-carboxamide
CID 154565221
(6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one
CID 146046249
[4-(3-amino-4-pyridinyl)piperazin-2-yl]methanol
CID 70886811
(3S,4S)-1-(5-amino-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 146042040

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-2-yl]ethanol (CID 57317270) is 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-2-yl]ethanol is Nc1nnc(N2CCNC(CCO)C2)s1.
What is the InChIKey of 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-2-yl]ethanol?
The InChIKey is VBPSCMRRAHQMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5OS/c9-7-11-12-8(15-7)13-3-2-10-6(5-13)1-4-14/h6,10,14H,1-5H2,(H2,9,11).
What are the key properties of 2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-2-yl]ethanol?
2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-2-yl]ethanol has a molecular weight of 229.31 g/mol, XLogP of -0.72, 3 rotatable bonds, 3 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-2-yl]ethanol is sourced from PubChem (CID 57317270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).