4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide

C16H20N6O2S — CID 46984995

IUPAC4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C16H20N6O2S/c1-20(2)16(24)22-10-8-21(9-11-22)15(23)18-14-17-13(19-25-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,17,18,19,23)
InChIKeyURPJKQBIASSJLV-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.04
Rot. Bonds2

About 4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide

4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide (PubChem CID 46984995) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide
PubChem CID46984995
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C16H20N6O2S/c1-20(2)16(24)22-10-8-21(9-11-22)15(23)18-14-17-13(19-25-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,17,18,19,23)
InChIKeyURPJKQBIASSJLV-UHFFFAOYSA-N
XLogP2.04
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide
CID 48739001
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
(2S)-2-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide
CID 97201689
3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide
CID 71862261
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
(3S,4S)-1-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122076891
2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 46995702
2-methyl-3-[methyl-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]amino]propanoic acid
CID 122076890
1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 10803880
1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-[(2S)-1-piperidin-1-ylpropan-2-yl]urea
CID 99783227
2-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]benzoic acid
CID 69297209
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
CID 10637031

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide (CID 46984995) is 4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide is CN(C)C(=O)N1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide?
The InChIKey is URPJKQBIASSJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-20(2)16(24)22-10-8-21(9-11-22)15(23)18-14-17-13(19-25-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,17,18,19,23).
What are the key properties of 4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide?
4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide is sourced from PubChem (CID 46984995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).