[4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride

C13H23ClN4O2S — CID 71783259

IUPAC[4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
SMILESCCCc1nnsc1C(=O)N1CCN(CC(C)O)CC1.Cl
InChIInChI=1S/C13H22N4O2S.ClH/c1-3-4-11-12(20-15-14-11)13(19)17-7-5-16(6-8-17)9-10(2)18;/h10,18H,3-9H2,1-2H3;1H
InChIKeyJFKQXFOBOJFSQF-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.05
Rot. Bonds5

About [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride

[4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride (PubChem CID 71783259) has the molecular formula C13H23ClN4O2S and a molecular weight of 334.87 g/mol. Its IUPAC name is [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
PubChem CID71783259
Molecular FormulaC13H23ClN4O2S
Molecular Weight334.87 g/mol
Exact Mass334.12
IUPAC Name[4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
SMILESCCCc1nnsc1C(=O)N1CCN(CC(C)O)CC1.Cl
InChIInChI=1S/C13H22N4O2S.ClH/c1-3-4-11-12(20-15-14-11)13(19)17-7-5-16(6-8-17)9-10(2)18;/h10,18H,3-9H2,1-2H3;1H
InChIKeyJFKQXFOBOJFSQF-UHFFFAOYSA-N
XLogP1.05
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride?
The IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride (CID 71783259) is [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride?
The canonical SMILES for [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride is CCCc1nnsc1C(=O)N1CCN(CC(C)O)CC1.Cl.
What is the InChIKey of [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride?
The InChIKey is JFKQXFOBOJFSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S.ClH/c1-3-4-11-12(20-15-14-11)13(19)17-7-5-16(6-8-17)9-10(2)18;/h10,18H,3-9H2,1-2H3;1H.
What are the key properties of [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride?
[4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 71783259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).