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

C13H21ClN4O2S — CID 71783135

IUPAC[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride
SMILESCc1nnsc1C(=O)N1CCN(CC(O)C2CC2)CC1.Cl
InChIInChI=1S/C13H20N4O2S.ClH/c1-9-12(20-15-14-9)13(19)17-6-4-16(5-7-17)8-11(18)10-2-3-10;/h10-11,18H,2-8H2,1H3;1H
InChIKeyJNDCXZHPUUWFPX-UHFFFAOYSA-N
MW332.86 g/mol
LogP0.80
Rot. Bonds4

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

[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride (PubChem CID 71783135) has the molecular formula C13H21ClN4O2S and a molecular weight of 332.86 g/mol. Its IUPAC name is [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride
PubChem CID71783135
Molecular FormulaC13H21ClN4O2S
Molecular Weight332.86 g/mol
Exact Mass332.11
IUPAC Name[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride
SMILESCc1nnsc1C(=O)N1CCN(CC(O)C2CC2)CC1.Cl
InChIInChI=1S/C13H20N4O2S.ClH/c1-9-12(20-15-14-9)13(19)17-6-4-16(5-7-17)8-11(18)10-2-3-10;/h10-11,18H,2-8H2,1H3;1H
InChIKeyJNDCXZHPUUWFPX-UHFFFAOYSA-N
XLogP0.80
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-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-methylthiadiazol-5-yl)methanone;hydrochloride?
The IUPAC name of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride (CID 71783135) is [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride?
The canonical SMILES for [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride is Cc1nnsc1C(=O)N1CCN(CC(O)C2CC2)CC1.Cl.
What is the InChIKey of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride?
The InChIKey is JNDCXZHPUUWFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S.ClH/c1-9-12(20-15-14-9)13(19)17-6-4-16(5-7-17)8-11(18)10-2-3-10;/h10-11,18H,2-8H2,1H3;1H.
What are the key properties of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride?
[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride has a molecular weight of 332.86 g/mol, XLogP of 0.80, 4 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-methylthiadiazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 71783135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).