N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

C14H15N3O2S — CID 2532351

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC1=NCCS1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H15N3O2S/c18-12-2-1-8-17(12)11-5-3-10(4-6-11)13(19)16-14-15-7-9-20-14/h3-6H,1-2,7-9H2,(H,15,16,19)
InChIKeyGUVOMVDCJBCUEV-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.65
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 2532351) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID2532351
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC1=NCCS1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H15N3O2S/c18-12-2-1-8-17(12)11-5-3-10(4-6-11)13(19)16-14-15-7-9-20-14/h3-6H,1-2,7-9H2,(H,15,16,19)
InChIKeyGUVOMVDCJBCUEV-UHFFFAOYSA-N
XLogP1.65
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{4-[(5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl}ethan-1-one
CID 2384537
3-Methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 2635428
N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide
CID 651069
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 654546
N-(4-Acetyl-phenyl)-2-(3-methyl-2-methylimino-4-oxo-thiazolidin-5-yl)-acetamide
CID 2938655
N-(4-methylphenyl)-2-{[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)-3,4-dihydroquinazolin-2-yl]thio}acetamide
CID 3243230
4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-phenylethyl)benzamide
CID 3607666
N-(4-Ethylphenyl)-2-({4-oxo-3-[4-oxo-4-(pyrrolidin-1-YL)butyl]-3,4-dihydroquinazolin-2-YL}sulfanyl)acetamide
CID 6624259
4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 16307926
4-({5,5-dioxo-3aH,4H,6H,6aH-5lambda6-thieno[3,4-d][1,3]thiazol-2-yl}amino)-N-(1-phenylethyl)benzamide
CID 22588435
N-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 24982925
N-ethyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 25163314

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 2532351) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(NC1=NCCS1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is GUVOMVDCJBCUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-12-2-1-8-17(12)11-5-3-10(4-6-11)13(19)16-14-15-7-9-20-14/h3-6H,1-2,7-9H2,(H,15,16,19).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 289.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 2532351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).