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

C15H25ClN4O2S — CID 71783028

IUPAC[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
SMILESCCCc1nnsc1C(=O)N1CCN(CC(O)C2CC2)CC1.Cl
InChIInChI=1S/C15H24N4O2S.ClH/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;1H
InChIKeyWTFVDTMYLJGWTL-UHFFFAOYSA-N
MW360.91 g/mol
LogP1.44
Rot. Bonds6

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

[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride (PubChem CID 71783028) has the molecular formula C15H25ClN4O2S and a molecular weight of 360.91 g/mol. Its IUPAC name is [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
PubChem CID71783028
Molecular FormulaC15H25ClN4O2S
Molecular Weight360.91 g/mol
Exact Mass360.14
IUPAC Name[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
SMILESCCCc1nnsc1C(=O)N1CCN(CC(O)C2CC2)CC1.Cl
InChIInChI=1S/C15H24N4O2S.ClH/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;1H
InChIKeyWTFVDTMYLJGWTL-UHFFFAOYSA-N
XLogP1.44
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride?
The IUPAC name of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride (CID 71783028) is [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride?
The canonical SMILES for [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride is CCCc1nnsc1C(=O)N1CCN(CC(O)C2CC2)CC1.Cl.
What is the InChIKey of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride?
The InChIKey is WTFVDTMYLJGWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S.ClH/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;1H.
What are the key properties of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride?
[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 1.44, 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;hydrochloride is sourced from PubChem (CID 71783028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).