1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

C19H15Cl2N3O3S — CID 55722578

IUPAC1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)cs1)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H15Cl2N3O3S/c20-12-7-11(8-13(21)9-12)18(26)24-5-1-3-15(24)17(25)23-19-22-14(10-28-19)16-4-2-6-27-16/h2,4,6-10,15H,1,3,5H2,(H,22,23,25)
InChIKeyMMXMNUBNPOPVNC-UHFFFAOYSA-N
MW436.32 g/mol
LogP4.95
Rot. Bonds4

About 1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 55722578) has the molecular formula C19H15Cl2N3O3S and a molecular weight of 436.32 g/mol. Its IUPAC name is 1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID55722578
Molecular FormulaC19H15Cl2N3O3S
Molecular Weight436.32 g/mol
Exact Mass435.02
IUPAC Name1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)cs1)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H15Cl2N3O3S/c20-12-7-11(8-13(21)9-12)18(26)24-5-1-3-15(24)17(25)23-19-22-14(10-28-19)16-4-2-6-27-16/h2,4,6-10,15H,1,3,5H2,(H,22,23,25)
InChIKeyMMXMNUBNPOPVNC-UHFFFAOYSA-N
XLogP4.95
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.32
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-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

(2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55937479
1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 42757512
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55331245
1-(3,5-dichlorobenzoyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-2-carboxamide
CID 55607785
(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94162909
(1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 51949489
N-[4-(azepane-1-carbonyl)phenyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55887233
(2S,4S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 87496204
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55335865
N-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 42957925
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17436246
(2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 52532720

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (CID 55722578) is 1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is O=C(Nc1nc(-c2ccco2)cs1)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is MMXMNUBNPOPVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3S/c20-12-7-11(8-13(21)9-12)18(26)24-5-1-3-15(24)17(25)23-19-22-14(10-28-19)16-4-2-6-27-16/h2,4,6-10,15H,1,3,5H2,(H,22,23,25).
What are the key properties of 1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 436.32 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55722578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).