N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C17H18N4O3S2 — CID 51896563

IUPACN-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C17H18N4O3S2/c22-15-9-26-17(24)21(15)13-5-2-1-4-10(13)18-16(23)12-8-11(19-20-12)14-6-3-7-25-14/h3,6-8,10,13H,1-2,4-5,9H2,(H,18,23)(H,19,20)/t10-,13-/m0/s1
InChIKeyXIHPGPVWZAUVRS-GWCFXTLKSA-N
MW390.49 g/mol
LogP2.87
Rot. Bonds4

About N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 51896563) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID51896563
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC NameN-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C17H18N4O3S2/c22-15-9-26-17(24)21(15)13-5-2-1-4-10(13)18-16(23)12-8-11(19-20-12)14-6-3-7-25-14/h3,6-8,10,13H,1-2,4-5,9H2,(H,18,23)(H,19,20)/t10-,13-/m0/s1
InChIKeyXIHPGPVWZAUVRS-GWCFXTLKSA-N
XLogP2.87
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-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-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119474401
N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 51896540
N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
CID 51896525
N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
CID 51896523
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90597429
methyl 4-[[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]carbamoyl]benzoate
CID 51896508
N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 35569327
N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide
CID 35569573
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55949675
N-(1-cyanocyclopentyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 78900626
1-benzyl-3-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]urea
CID 51896521
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 111429721

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 51896563) is N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is XIHPGPVWZAUVRS-GWCFXTLKSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c22-15-9-26-17(24)21(15)13-5-2-1-4-10(13)18-16(23)12-8-11(19-20-12)14-6-3-7-25-14/h3,6-8,10,13H,1-2,4-5,9H2,(H,18,23)(H,19,20)/t10-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 51896563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).