2-(4-methylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride

C12H22ClN5OS — CID 2960408

IUPAC2-(4-methylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
SMILESCCCc1nnc(NC(=O)CN2CCN(C)CC2)s1.Cl
InChIInChI=1S/C12H21N5OS.ClH/c1-3-4-11-14-15-12(19-11)13-10(18)9-17-7-5-16(2)6-8-17;/h3-9H2,1-2H3,(H,13,15,18);1H
InChIKeyHPJGDFPYEYYHNN-UHFFFAOYSA-N
MW319.86 g/mol
LogP1.10
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride

2-(4-methylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride (PubChem CID 2960408) has the molecular formula C12H22ClN5OS and a molecular weight of 319.86 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
PubChem CID2960408
Molecular FormulaC12H22ClN5OS
Molecular Weight319.86 g/mol
Exact Mass319.12
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
SMILESCCCc1nnc(NC(=O)CN2CCN(C)CC2)s1.Cl
InChIInChI=1S/C12H21N5OS.ClH/c1-3-4-11-14-15-12(19-11)13-10(18)9-17-7-5-16(2)6-8-17;/h3-9H2,1-2H3,(H,13,15,18);1H
InChIKeyHPJGDFPYEYYHNN-UHFFFAOYSA-N
XLogP1.10
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride (CID 2960408) is 2-(4-methylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride is CCCc1nnc(NC(=O)CN2CCN(C)CC2)s1.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride?
The InChIKey is HPJGDFPYEYYHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS.ClH/c1-3-4-11-14-15-12(19-11)13-10(18)9-17-7-5-16(2)6-8-17;/h3-9H2,1-2H3,(H,13,15,18);1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride?
2-(4-methylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride has a molecular weight of 319.86 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 2960408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).