N-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide

C14H23N5OS — CID 61122555

IUPACN-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC1(C(N)=S)CCN(C)CC1
InChIInChI=1S/C14H23N5OS/c1-9-11(10(2)19(4)17-9)12(20)16-14(13(15)21)5-7-18(3)8-6-14/h5-8H2,1-4H3,(H2,15,21)(H,16,20)
InChIKeyCIHCVWHATKYZJC-UHFFFAOYSA-N
MW309.44 g/mol
LogP0.52
Rot. Bonds3

About N-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 61122555) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID61122555
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC1(C(N)=S)CCN(C)CC1
InChIInChI=1S/C14H23N5OS/c1-9-11(10(2)19(4)17-9)12(20)16-14(13(15)21)5-7-18(3)8-6-14/h5-8H2,1-4H3,(H2,15,21)(H,16,20)
InChIKeyCIHCVWHATKYZJC-UHFFFAOYSA-N
XLogP0.52
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide 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

N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-methylimidazole-4-carboxamide
CID 103510987
4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]oxane-4-carboxylic acid
CID 115291376
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide
CID 61122944
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66126538
1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide
CID 107422588
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2,3-dichlorobenzamide
CID 61123543
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide
CID 106861279
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide
CID 81446516
N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61120127
N-[1-(bromomethyl)cyclohexyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 113275504
5-bromo-N-(4-carbamothioyl-1-methylpiperidin-4-yl)furan-2-carboxamide
CID 61122940
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 61122555) is N-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NC1(C(N)=S)CCN(C)CC1.
What is the InChIKey of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is CIHCVWHATKYZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-9-11(10(2)19(4)17-9)12(20)16-14(13(15)21)5-7-18(3)8-6-14/h5-8H2,1-4H3,(H2,15,21)(H,16,20).
What are the key properties of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 61122555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).