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

C17H19N3OS2 — CID 889832

IUPACN-[(2-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccs1
InChIInChI=1S/C17H19N3OS2/c21-16(15-9-6-12-23-15)19-17(22)18-13-7-2-3-8-14(13)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2,(H2,18,19,21,22)
InChIKeyNWVMQZSHDBBRGH-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.87
Rot. Bonds3

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

N-[(2-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 889832) has the molecular formula C17H19N3OS2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(2-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide
PubChem CID889832
Molecular FormulaC17H19N3OS2
Molecular Weight345.49 g/mol
Exact Mass345.10
IUPAC NameN-[(2-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccs1
InChIInChI=1S/C17H19N3OS2/c21-16(15-9-6-12-23-15)19-17(22)18-13-7-2-3-8-14(13)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2,(H2,18,19,21,22)
InChIKeyNWVMQZSHDBBRGH-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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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
2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 1478348
5-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 25162451
{4-[4-(2-Thienylcarbonyl)piperazin-1-yl]phenyl}amine
CID 1154358
N-{[4-(piperidin-1-yl)phenyl]carbamothioyl}thiophene-2-carboxamide
CID 716779
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-[(2-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide (CID 889832) is N-[(2-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide is O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccs1.
What is the InChIKey of N-[(2-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is NWVMQZSHDBBRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS2/c21-16(15-9-6-12-23-15)19-17(22)18-13-7-2-3-8-14(13)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2,(H2,18,19,21,22).
What are the key properties of N-[(2-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide?
N-[(2-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-[(2-piperidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 889832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).