4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide

C17H17N5O2S — CID 15979377

IUPAC4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2nc(-c3ccco3)ns2)CC1
InChIInChI=1S/C17H17N5O2S/c23-16(18-13-5-2-1-3-6-13)21-8-10-22(11-9-21)17-19-15(20-25-17)14-7-4-12-24-14/h1-7,12H,8-11H2,(H,18,23)
InChIKeyUSIIPZMPAZLWIJ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.15
Rot. Bonds3

About 4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide

4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide (PubChem CID 15979377) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
PubChem CID15979377
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2nc(-c3ccco3)ns2)CC1
InChIInChI=1S/C17H17N5O2S/c23-16(18-13-5-2-1-3-6-13)21-8-10-22(11-9-21)17-19-15(20-25-17)14-7-4-12-24-14/h1-7,12H,8-11H2,(H,18,23)
InChIKeyUSIIPZMPAZLWIJ-UHFFFAOYSA-N
XLogP3.15
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 11552354
N-[3-(hydroxymethyl)phenyl]-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 68778002
2-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]benzoic acid
CID 69297209
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide
CID 68777281
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 15979119
N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
CID 71508673
2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 6733956
4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide
CID 5225773
2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide
CID 141146312
N-(3,5-dimethylphenyl)-4-[2-(furan-2-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide
CID 46321058
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-(1,2-benzoxazol-3-yl)-4-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 68780290

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide (CID 15979377) is 4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(c2nc(-c3ccco3)ns2)CC1.
What is the InChIKey of 4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is USIIPZMPAZLWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c23-16(18-13-5-2-1-3-6-13)21-8-10-22(11-9-21)17-19-15(20-25-17)14-7-4-12-24-14/h1-7,12H,8-11H2,(H,18,23).
What are the key properties of 4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide?
4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 15979377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).