N-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C17H13Cl2N3O3S — CID 26586291

IUPACN-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2N3O3S/c18-11-4-3-10(13(19)6-11)8-20-15(23)7-12-9-26-17(21-12)22-16(24)14-2-1-5-25-14/h1-6,9H,7-8H2,(H,20,23)(H,21,22,24)
InChIKeyYRDJVVQVWTUCFW-UHFFFAOYSA-N
MW410.28 g/mol
LogP4.15
Rot. Bonds6

About N-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 26586291) has the molecular formula C17H13Cl2N3O3S and a molecular weight of 410.28 g/mol. Its IUPAC name is N-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID26586291
Molecular FormulaC17H13Cl2N3O3S
Molecular Weight410.28 g/mol
Exact Mass409.01
IUPAC NameN-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2N3O3S/c18-11-4-3-10(13(19)6-11)8-20-15(23)7-12-9-26-17(21-12)22-16(24)14-2-1-5-25-14/h1-6,9H,7-8H2,(H,20,23)(H,21,22,24)
InChIKeyYRDJVVQVWTUCFW-UHFFFAOYSA-N
XLogP4.15
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-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-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55435270
N-[4-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17416159
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757
N-[4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17439699
N-[4-[2-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55876889
N-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 47863573
N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40917855
N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17449851
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27256446
N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841666
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 26586291) is N-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is YRDJVVQVWTUCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3S/c18-11-4-3-10(13(19)6-11)8-20-15(23)7-12-9-26-17(21-12)22-16(24)14-2-1-5-25-14/h1-6,9H,7-8H2,(H,20,23)(H,21,22,24).
What are the key properties of N-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 410.28 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 26586291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).