[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C15H24N4O2S — CID 71783029

IUPAC[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C15H24N4O2S/c1-2-3-12-14(22-17-16-12)15(21)19-8-6-18(7-9-19)10-13(20)11-4-5-11/h11,13,20H,2-10H2,1H3
InChIKeyXJSFQWLYDDQFKX-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.02
Rot. Bonds6

About [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 71783029) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID71783029
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C15H24N4O2S/c1-2-3-12-14(22-17-16-12)15(21)19-8-6-18(7-9-19)10-13(20)11-4-5-11/h11,13,20H,2-10H2,1H3
InChIKeyXJSFQWLYDDQFKX-UHFFFAOYSA-N
XLogP1.02
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Ethylthiadiazol-5-yl)-[4-(2-hydroxy-3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 53618603
(4-Ethylthiadiazol-5-yl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 53626744
[4-(2-Hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 71783260
(4-(2-Cyclopropyl-2-hydroxyethyl)piperazin-1-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone hydrochloride
CID 71783028
(4-(2-Hydroxypropyl)piperazin-1-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone hydrochloride
CID 71783259
{(3R*,4R*)-1-[(4-isopropyl-1,2,3-thiadiazol-5-yl)carbonyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl}methanol
CID 72861088
(4-Cyclopropylthiadiazol-5-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone
CID 128532110
(4-(2-Cyclopropyl-2-hydroxyethyl)piperazin-1-yl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone hydrochloride
CID 71783135
[4-(2-Cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 71783136
(3-(Hydroxymethyl)morpholino)(4-propyl-1,2,3-thiadiazol-5-yl)methanone
CID 71785837
[3-[[2-Hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
CID 71786052
[(S)-3-(hydroxymethyl)-4-morpholinyl](4-propyl-1,2,3-thiadiazol-5-yl)methanone
CID 97040218

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 71783029) is [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is XJSFQWLYDDQFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-2-3-12-14(22-17-16-12)15(21)19-8-6-18(7-9-19)10-13(20)11-4-5-11/h11,13,20H,2-10H2,1H3.
What are the key properties of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 324.45 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 71783029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).