N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride

C17H24ClN5O2S — CID 6603474

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCc1nnc(NC(=O)CN2CCN(c3ccccc3OC)CC2)s1.Cl
InChIInChI=1S/C17H23N5O2S.ClH/c1-3-16-19-20-17(25-16)18-15(23)12-21-8-10-22(11-9-21)13-6-4-5-7-14(13)24-2;/h4-7H,3,8-12H2,1-2H3,(H,18,20,23);1H
InChIKeyIDLCQVNNAYKXGX-UHFFFAOYSA-N
MW397.93 g/mol
LogP2.29
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 6603474) has the molecular formula C17H24ClN5O2S and a molecular weight of 397.93 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID6603474
Molecular FormulaC17H24ClN5O2S
Molecular Weight397.93 g/mol
Exact Mass397.13
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCc1nnc(NC(=O)CN2CCN(c3ccccc3OC)CC2)s1.Cl
InChIInChI=1S/C17H23N5O2S.ClH/c1-3-16-19-20-17(25-16)18-15(23)12-21-8-10-22(11-9-21)13-6-4-5-7-14(13)24-2;/h4-7H,3,8-12H2,1-2H3,(H,18,20,23);1H
InChIKeyIDLCQVNNAYKXGX-UHFFFAOYSA-N
XLogP2.29
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 645405
Cyclopropanecarboxylic acid (5-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethylsulfanyl}-[1,3,4]thiadiazol-2-yl)-amide
CID 647958
Pyrrolidine-1,2-dicarboxylic acid 2-[(5-ethyl-[1,3,4]thiadiazol-2-yl)-amide] 1-[(2-methoxy-phenyl)-amide]
CID 648805
2-Ethyl-N-(5-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethylsulfanyl}-[1,3,4]thiadiazol-2-yl)-butyramide
CID 652121
Pyrrolidine-1,2-dicarboxylic acid 2-[(5-isopropyl-[1,3,4]thiadiazol-2-yl)-amide] 1-[(2-methoxy-phenyl)-amide]
CID 652135
Cyclobutanecarboxylic acid (5-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethylsulfanyl}-[1,3,4]thiadiazol-2-yl)-amide
CID 655694
1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
CID 660721
N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-N'-(2-ethoxyphenyl)butanediamide
CID 1394537
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 1452080
2-(2-oxo-1,3-benzoxazol-3(2H)-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2201162
4-[2-[[5-(2-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 2611413
N-[5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 3220474

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride (CID 6603474) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride is CCc1nnc(NC(=O)CN2CCN(c3ccccc3OC)CC2)s1.Cl.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is IDLCQVNNAYKXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S.ClH/c1-3-16-19-20-17(25-16)18-15(23)12-21-8-10-22(11-9-21)13-6-4-5-7-14(13)24-2;/h4-7H,3,8-12H2,1-2H3,(H,18,20,23);1H.
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 397.93 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 6603474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).