methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate

C20H21N3O4S — CID 55939179

IUPACmethyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H21N3O4S/c1-27-20(26)22-16-9-7-14(8-10-16)11-21-18(24)17-12-28-13-23(17)19(25)15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,26)/t17-/m0/s1
InChIKeyMVAGNMWMGWWKSK-KRWDZBQOSA-N
MW399.47 g/mol
LogP2.70
Rot. Bonds5

About methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate

methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate (PubChem CID 55939179) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate
PubChem CID55939179
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Namemethyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H21N3O4S/c1-27-20(26)22-16-9-7-14(8-10-16)11-21-18(24)17-12-28-13-23(17)19(25)15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,26)/t17-/m0/s1
InChIKeyMVAGNMWMGWWKSK-KRWDZBQOSA-N
XLogP2.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate with MolForge

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Related Compounds

(4R)-3-benzoyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55938539
(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55938881
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
3-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 60555694
3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55893789
3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55545581
3-benzoyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55768686
3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55608747
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 809777

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate (CID 55939179) is methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1.
What is the InChIKey of methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate?
The InChIKey is MVAGNMWMGWWKSK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-27-20(26)22-16-9-7-14(8-10-16)11-21-18(24)17-12-28-13-23(17)19(25)15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,26)/t17-/m0/s1.
What are the key properties of methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate?
methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate has a molecular weight of 399.47 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate is sourced from PubChem (CID 55939179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).