4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide

C16H25N3OS2 — CID 89200256

IUPAC4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide
SMILESCCCCCNC(=S)N1CCC(c2nc(C(C)=O)cs2)CC1
InChIInChI=1S/C16H25N3OS2/c1-3-4-5-8-17-16(21)19-9-6-13(7-10-19)15-18-14(11-22-15)12(2)20/h11,13H,3-10H2,1-2H3,(H,17,21)
InChIKeyHWBNBODNQATOCF-UHFFFAOYSA-N
MW339.53 g/mol
LogP3.59
Rot. Bonds6

About 4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide

4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide (PubChem CID 89200256) has the molecular formula C16H25N3OS2 and a molecular weight of 339.53 g/mol. Its IUPAC name is 4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide
PubChem CID89200256
Molecular FormulaC16H25N3OS2
Molecular Weight339.53 g/mol
Exact Mass339.14
IUPAC Name4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide
SMILESCCCCCNC(=S)N1CCC(c2nc(C(C)=O)cs2)CC1
InChIInChI=1S/C16H25N3OS2/c1-3-4-5-8-17-16(21)19-9-6-13(7-10-19)15-18-14(11-22-15)12(2)20/h11,13H,3-10H2,1-2H3,(H,17,21)
InChIKeyHWBNBODNQATOCF-UHFFFAOYSA-N
XLogP3.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(butylcarbamothioyl)piperidin-4-yl]-N-[2-(4-ethylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59208989
2-[1-(butylcarbamothioyl)piperidin-4-yl]-N-[4-fluoro-2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 89200258
2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxylic acid
CID 142706070
N-(4-methyl-2-phenylphenyl)-2-[1-(propylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209237
2-[1-(pentylcarbamoyl)piperidin-4-yl]-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 59210136
N-[2-(4-chlorophenyl)phenyl]-2-[1-(3-methoxypropylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 89090294
heptane;N-(2-methylphenyl)-2-[1-(4-oxopentanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142982967
N-[2-(4-ethylphenyl)phenyl]-2-[1-(3-methylbutylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209556
2-[1-(ethylcarbamothioyl)piperidin-4-yl]-N-[2-(4-ethylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59208694
N-pentylpyrrolidine-1-carbothioamide
CID 127515670
ethyl 2-[1-[(2,3,5,6-tetrafluorophenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
CID 3855554
1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane
CID 142982952

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide?
The IUPAC name of 4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide (CID 89200256) is 4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide.
What is the SMILES notation for 4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide?
The canonical SMILES for 4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide is CCCCCNC(=S)N1CCC(c2nc(C(C)=O)cs2)CC1.
What is the InChIKey of 4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide?
The InChIKey is HWBNBODNQATOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS2/c1-3-4-5-8-17-16(21)19-9-6-13(7-10-19)15-18-14(11-22-15)12(2)20/h11,13H,3-10H2,1-2H3,(H,17,21).
What are the key properties of 4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide?
4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide has a molecular weight of 339.53 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide is sourced from PubChem (CID 89200256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).