3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide

C18H25N3O2S — CID 69238431

IUPAC3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC2CNC(C(=O)N3CCSC3)C2)c1
InChIInChI=1S/C18H25N3O2S/c1-12-5-13(2)7-15(6-12)17(22)20-10-14-8-16(19-9-14)18(23)21-3-4-24-11-21/h5-7,14,16,19H,3-4,8-11H2,1-2H3,(H,20,22)
InChIKeyDIBGTEMPUSZYHT-UHFFFAOYSA-N
MW347.48 g/mol
LogP1.54
Rot. Bonds4

About 3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide

3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 69238431) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID69238431
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC2CNC(C(=O)N3CCSC3)C2)c1
InChIInChI=1S/C18H25N3O2S/c1-12-5-13(2)7-15(6-12)17(22)20-10-14-8-16(19-9-14)18(23)21-3-4-24-11-21/h5-7,14,16,19H,3-4,8-11H2,1-2H3,(H,20,22)
InChIKeyDIBGTEMPUSZYHT-UHFFFAOYSA-N
XLogP1.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 59681850
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 11659739
4-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69242489
4-bromo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69238518
4-(dimethylamino)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69242452
3-hydroxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 11688603
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 69242843
2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69241258
2-bromo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69241009
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 11716843
4-(phenoxymethyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 11604276
phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 69240790

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide (CID 69238431) is 3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide is Cc1cc(C)cc(C(=O)NCC2CNC(C(=O)N3CCSC3)C2)c1.
What is the InChIKey of 3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is DIBGTEMPUSZYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-12-5-13(2)7-15(6-12)17(22)20-10-14-8-16(19-9-14)18(23)21-3-4-24-11-21/h5-7,14,16,19H,3-4,8-11H2,1-2H3,(H,20,22).
What are the key properties of 3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 347.48 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 69238431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).