4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide

C21H25N3O2S — CID 56521457

IUPAC4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc2c(s1)CCCC2)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C21H25N3O2S/c25-20-6-3-13-24(20)14-15-7-9-16(10-8-15)21(26)22-12-11-19-23-17-4-1-2-5-18(17)27-19/h7-10H,1-6,11-14H2,(H,22,26)
InChIKeyUIZMLLJRSSCDSZ-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.12
Rot. Bonds6

About 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide

4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide (PubChem CID 56521457) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide
PubChem CID56521457
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc2c(s1)CCCC2)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C21H25N3O2S/c25-20-6-3-13-24(20)14-15-7-9-16(10-8-15)21(26)22-12-11-19-23-17-4-1-2-5-18(17)27-19/h7-10H,1-6,11-14H2,(H,22,26)
InChIKeyUIZMLLJRSSCDSZ-UHFFFAOYSA-N
XLogP3.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 51195842
4-fluoro-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide
CID 110441669
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
CID 119137095
N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32686719
N-[3-(dimethylamino)propyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 43910375
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110461158
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide
CID 110467175
2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 51132681
2-chloro-N-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 146103293
4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119285773
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 121499708

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide (CID 56521457) is 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide is O=C(NCCc1nc2c(s1)CCCC2)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide?
The InChIKey is UIZMLLJRSSCDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c25-20-6-3-13-24(20)14-15-7-9-16(10-8-15)21(26)22-12-11-19-23-17-4-1-2-5-18(17)27-19/h7-10H,1-6,11-14H2,(H,22,26).
What are the key properties of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide?
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide has a molecular weight of 383.52 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 56521457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).