[4-(2-hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone

C9H14N4O2S — CID 43522596

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCN(CCO)CC1
InChIInChI=1S/C9H14N4O2S/c14-6-5-12-1-3-13(4-2-12)9(15)8-7-10-16-11-8/h7,14H,1-6H2
InChIKeyDHZZOPNACNLIGD-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.71
Rot. Bonds3

About [4-(2-hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone

[4-(2-hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 43522596) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID43522596
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCN(CCO)CC1
InChIInChI=1S/C9H14N4O2S/c14-6-5-12-1-3-13(4-2-12)9(15)8-7-10-16-11-8/h7,14H,1-6H2
InChIKeyDHZZOPNACNLIGD-UHFFFAOYSA-N
XLogP-0.71
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-(1,2,5-thiadiazol-3-ylcarbonyl)-1-piperazinecarboxylate
CID 900727
[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone
CID 94200535
1-Cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one
CID 71924820
2,5-Dimethyl-4-(1,2,5-thiadiazole-3-carbonyl)morpholine
CID 47351602
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 94200533
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 103915377
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide
CID 107482646
[4-(2-Fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 138015029
Piperidin-1-yl(1,2,5-thiadiazol-3-yl)methanone
CID 60860191
Piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone
CID 43522513
2-[Methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid
CID 43522539
2-[4-(1,2,5-Thiadiazole-3-carbonyl)piperazin-1-yl]acetic acid
CID 43522584

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (CID 43522596) is [4-(2-hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1CCN(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is DHZZOPNACNLIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c14-6-5-12-1-3-13(4-2-12)9(15)8-7-10-16-11-8/h7,14H,1-6H2.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 242.30 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 43522596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).