N-[(4-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide

C17H19N3OS2 — CID 716779

IUPACN-[(4-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cccs1
InChIInChI=1S/C17H19N3OS2/c21-16(15-5-4-12-23-15)19-17(22)18-13-6-8-14(9-7-13)20-10-2-1-3-11-20/h4-9,12H,1-3,10-11H2,(H2,18,19,21,22)
InChIKeyNIBRROFSNPOYPM-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.87
Rot. Bonds3

About N-[(4-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide

N-[(4-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 716779) has the molecular formula C17H19N3OS2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide
PubChem CID716779
Molecular FormulaC17H19N3OS2
Molecular Weight345.49 g/mol
Exact Mass345.10
IUPAC NameN-[(4-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cccs1
InChIInChI=1S/C17H19N3OS2/c21-16(15-5-4-12-23-15)19-17(22)18-13-6-8-14(9-7-13)20-10-2-1-3-11-20/h4-9,12H,1-3,10-11H2,(H2,18,19,21,22)
InChIKeyNIBRROFSNPOYPM-UHFFFAOYSA-N
XLogP3.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)thiophene-2-carboxamide
CID 736373
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
1-Phenyl-3-(thiophene-2-carbonyl)-thiourea
CID 817333
N-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 817337
N-[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]-2-thiophenecarboxamide
CID 892549
N-((4-morpholinophenyl)carbamothioyl)thiophene-2-carboxamide
CID 718042
N-[[3-(propanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 882702
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1081265
2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 1478348
{4-[4-(2-Thienylcarbonyl)piperazin-1-yl]phenyl}amine
CID 1154358
N-[4-(4-methyl-1-piperazinyl)phenyl]-2-thiophenecarboxamide
CID 718994
N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide
CID 729935

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[(4-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide (CID 716779) is N-[(4-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide is O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cccs1.
What is the InChIKey of N-[(4-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is NIBRROFSNPOYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS2/c21-16(15-5-4-12-23-15)19-17(22)18-13-6-8-14(9-7-13)20-10-2-1-3-11-20/h4-9,12H,1-3,10-11H2,(H2,18,19,21,22).
What are the key properties of N-[(4-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide?
N-[(4-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 716779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).