N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide

C9H12F2N4OS — CID 119328768

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cnn(CC(F)F)c1)C1CSCN1
InChIInChI=1S/C9H12F2N4OS/c10-8(11)3-15-2-6(1-13-15)14-9(16)7-4-17-5-12-7/h1-2,7-8,12H,3-5H2,(H,14,16)
InChIKeyZPVHKLWCTKYSHT-UHFFFAOYSA-N
MW262.28 g/mol
LogP0.75
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119328768) has the molecular formula C9H12F2N4OS and a molecular weight of 262.28 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID119328768
Molecular FormulaC9H12F2N4OS
Molecular Weight262.28 g/mol
Exact Mass262.07
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cnn(CC(F)F)c1)C1CSCN1
InChIInChI=1S/C9H12F2N4OS/c10-8(11)3-15-2-6(1-13-15)14-9(16)7-4-17-5-12-7/h1-2,7-8,12H,3-5H2,(H,14,16)
InChIKeyZPVHKLWCTKYSHT-UHFFFAOYSA-N
XLogP0.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-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-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-sulfanylpropanamide
CID 177681353
(2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide
CID 99822985
2-(4-Amino-1h-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43445368
2,2,2-Trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone
CID 151263204
2-(4-aminopyrazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176248876
N-cyclopentyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pyrazol-1-yl]acetamide
CID 49054628
N-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
CID 51078937
2-butylsulfanyl-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]propanamide
CID 56791732
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide
CID 62647515
2,2,2-trifluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 62726533
2-(4-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 63228603
N-(1-propylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 71994335

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide (CID 119328768) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide is O=C(Nc1cnn(CC(F)F)c1)C1CSCN1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZPVHKLWCTKYSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4OS/c10-8(11)3-15-2-6(1-13-15)14-9(16)7-4-17-5-12-7/h1-2,7-8,12H,3-5H2,(H,14,16).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 262.28 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119328768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).