4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide

C12H9ClF2N2O2S — CID 56803293

IUPAC4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCOc1ccc(F)c(F)c1)c1scnc1Cl
InChIInChI=1S/C12H9ClF2N2O2S/c13-11-10(20-6-17-11)12(18)16-3-4-19-7-1-2-8(14)9(15)5-7/h1-2,5-6H,3-4H2,(H,16,18)
InChIKeyWHQQGVVMZOUONE-UHFFFAOYSA-N
MW318.73 g/mol
LogP2.88
Rot. Bonds5

About 4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide

4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 56803293) has the molecular formula C12H9ClF2N2O2S and a molecular weight of 318.73 g/mol. Its IUPAC name is 4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID56803293
Molecular FormulaC12H9ClF2N2O2S
Molecular Weight318.73 g/mol
Exact Mass318.00
IUPAC Name4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCOc1ccc(F)c(F)c1)c1scnc1Cl
InChIInChI=1S/C12H9ClF2N2O2S/c13-11-10(20-6-17-11)12(18)16-3-4-19-7-1-2-8(14)9(15)5-7/h1-2,5-6H,3-4H2,(H,16,18)
InChIKeyWHQQGVVMZOUONE-UHFFFAOYSA-N
XLogP2.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-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

2-(2-aminoethyl)-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120631588
3-bromo-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
CID 113102457
1-(2,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976444
1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976389
1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976443
6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 155947426
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624
N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide
CID 56782452
4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
CID 56803329
1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 86807501
2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide
CID 35057390
1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
CID 112971005

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide (CID 56803293) is 4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide is O=C(NCCOc1ccc(F)c(F)c1)c1scnc1Cl.
What is the InChIKey of 4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WHQQGVVMZOUONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O2S/c13-11-10(20-6-17-11)12(18)16-3-4-19-7-1-2-8(14)9(15)5-7/h1-2,5-6H,3-4H2,(H,16,18).
What are the key properties of 4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide?
4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 318.73 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56803293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).