N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide

C17H21N5O3S — CID 91832530

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide
SMILESCOCc1nnc(NC(=O)CN2CCN(c3ccccc3)C(=O)C2C)s1
InChIInChI=1S/C17H21N5O3S/c1-12-16(24)22(13-6-4-3-5-7-13)9-8-21(12)10-14(23)18-17-20-19-15(26-17)11-25-2/h3-7,12H,8-11H2,1-2H3,(H,18,20,23)
InChIKeyGPPFLVHKXAXYNT-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.36
Rot. Bonds6

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide (PubChem CID 91832530) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide
PubChem CID91832530
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide
SMILESCOCc1nnc(NC(=O)CN2CCN(c3ccccc3)C(=O)C2C)s1
InChIInChI=1S/C17H21N5O3S/c1-12-16(24)22(13-6-4-3-5-7-13)9-8-21(12)10-14(23)18-17-20-19-15(26-17)11-25-2/h3-7,12H,8-11H2,1-2H3,(H,18,20,23)
InChIKeyGPPFLVHKXAXYNT-UHFFFAOYSA-N
XLogP1.36
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide (CID 91832530) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide is COCc1nnc(NC(=O)CN2CCN(c3ccccc3)C(=O)C2C)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide?
The InChIKey is GPPFLVHKXAXYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-12-16(24)22(13-6-4-3-5-7-13)9-8-21(12)10-14(23)18-17-20-19-15(26-17)11-25-2/h3-7,12H,8-11H2,1-2H3,(H,18,20,23).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide has a molecular weight of 375.45 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 91832530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).