N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C21H21N3O3S — CID 35889238

IUPACN-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1nc(-c2ccc(CNC(=O)c3ccc(CN4CCCC4=O)cc3)o2)cs1
InChIInChI=1S/C21H21N3O3S/c1-14-23-18(13-28-14)19-9-8-17(27-19)11-22-21(26)16-6-4-15(5-7-16)12-24-10-2-3-20(24)25/h4-9,13H,2-3,10-12H2,1H3,(H,22,26)
InChIKeyLWDGJWGLMPIOFZ-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.76
Rot. Bonds6

About N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 35889238) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID35889238
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1nc(-c2ccc(CNC(=O)c3ccc(CN4CCCC4=O)cc3)o2)cs1
InChIInChI=1S/C21H21N3O3S/c1-14-23-18(13-28-14)19-9-8-17(27-19)11-22-21(26)16-6-4-15(5-7-16)12-24-10-2-3-20(24)25/h4-9,13H,2-3,10-12H2,1H3,(H,22,26)
InChIKeyLWDGJWGLMPIOFZ-UHFFFAOYSA-N
XLogP3.76
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
CID 16571962
4-(difluoromethoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
CID 18205530
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 30040137
4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
6-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide
CID 17469627
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78860988
2-butyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 24552864
4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119285773
3,4-dimethyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 96545359
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
CID 119137095
4-morpholin-4-yl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46974678
2-(3-fluorophenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 17398398

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 35889238) is N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1nc(-c2ccc(CNC(=O)c3ccc(CN4CCCC4=O)cc3)o2)cs1.
What is the InChIKey of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is LWDGJWGLMPIOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14-23-18(13-28-14)19-9-8-17(27-19)11-22-21(26)16-6-4-15(5-7-16)12-24-10-2-3-20(24)25/h4-9,13H,2-3,10-12H2,1H3,(H,22,26).
What are the key properties of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 35889238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).