(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide

C18H19N3O2S — CID 124562005

IUPAC(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C18H19N3O2S/c1-13(22)21-12-24-11-17(21)18(23)20-16-9-5-8-15(10-16)19-14-6-3-2-4-7-14/h2-10,17,19H,11-12H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyQWPIEDTXQDGLAM-KRWDZBQOSA-N
MW341.44 g/mol
LogP3.29
Rot. Bonds4

About (4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide

(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 124562005) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID124562005
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C18H19N3O2S/c1-13(22)21-12-24-11-17(21)18(23)20-16-9-5-8-15(10-16)19-14-6-3-2-4-7-14/h2-10,17,19H,11-12H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyQWPIEDTXQDGLAM-KRWDZBQOSA-N
XLogP3.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 71889011
3-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119219604
3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55515650
3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 72693701
3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359495
(2R)-2-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 129407526
(4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95303764
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
(4S)-N-(3,4-dimethylphenyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95158596
(4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 95614265
(4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 94783798

Frequently Asked Questions

What is the IUPAC name of (4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide (CID 124562005) is (4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide is CC(=O)N1CSC[C@H]1C(=O)Nc1cccc(Nc2ccccc2)c1.
What is the InChIKey of (4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is QWPIEDTXQDGLAM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13(22)21-12-24-11-17(21)18(23)20-16-9-5-8-15(10-16)19-14-6-3-2-4-7-14/h2-10,17,19H,11-12H2,1H3,(H,20,23)/t17-/m0/s1.
What are the key properties of (4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide?
(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124562005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).