N-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide

C16H17N3O2S — CID 4623489

IUPACN-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide
SMILESO=C(NC(=S)N1CCN(c2ccccc2)CC1)c1ccoc1
InChIInChI=1S/C16H17N3O2S/c20-15(13-6-11-21-12-13)17-16(22)19-9-7-18(8-10-19)14-4-2-1-3-5-14/h1-6,11-12H,7-10H2,(H,17,20,22)
InChIKeyFHCOABVNXFNDRY-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.12
Rot. Bonds2

About N-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide

N-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide (PubChem CID 4623489) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide
PubChem CID4623489
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide
SMILESO=C(NC(=S)N1CCN(c2ccccc2)CC1)c1ccoc1
InChIInChI=1S/C16H17N3O2S/c20-15(13-6-11-21-12-13)17-16(22)19-9-7-18(8-10-19)14-4-2-1-3-5-14/h1-6,11-12H,7-10H2,(H,17,20,22)
InChIKeyFHCOABVNXFNDRY-UHFFFAOYSA-N
XLogP2.12
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-iodo-4-methyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide
CID 17175927
4-pentoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide
CID 17175938
[1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 35503421
N-[4-(3-chlorophenyl)piperazine-1-carbothioyl]-4-fluorobenzamide
CID 17376762
2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide
CID 17175932
N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]benzamide
CID 5156188
2-chloro-N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide
CID 3775854
N-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide
CID 974369
furan-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048919
4-phenyl-N-(piperidine-1-carbothioyl)benzamide
CID 932770
N-(3-acetylphenyl)-4-phenylpiperazine-1-carbothioamide
CID 19654358
N-benzhydryl-4-phenylpiperazine-1-carbothioamide
CID 3837595

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide?
The IUPAC name of N-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide (CID 4623489) is N-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide.
What is the SMILES notation for N-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide?
The canonical SMILES for N-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide is O=C(NC(=S)N1CCN(c2ccccc2)CC1)c1ccoc1.
What is the InChIKey of N-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide?
The InChIKey is FHCOABVNXFNDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-15(13-6-11-21-12-13)17-16(22)19-9-7-18(8-10-19)14-4-2-1-3-5-14/h1-6,11-12H,7-10H2,(H,17,20,22).
What are the key properties of N-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide?
N-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide is sourced from PubChem (CID 4623489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).