3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one

C17H18N2OS — CID 815330

IUPAC3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCS[C@@H]1c1ccncc1
InChIInChI=1S/C17H18N2OS/c20-16(7-6-14-4-2-1-3-5-14)19-12-13-21-17(19)15-8-10-18-11-9-15/h1-5,8-11,17H,6-7,12-13H2/t17-/m1/s1
InChIKeyKHKOGJZRMGHUDR-QGZVFWFLSA-N
MW298.41 g/mol
LogP3.29
Rot. Bonds4

About 3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one

3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 815330) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID815330
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCS[C@@H]1c1ccncc1
InChIInChI=1S/C17H18N2OS/c20-16(7-6-14-4-2-1-3-5-14)19-12-13-21-17(19)15-8-10-18-11-9-15/h1-5,8-11,17H,6-7,12-13H2/t17-/m1/s1
InChIKeyKHKOGJZRMGHUDR-QGZVFWFLSA-N
XLogP3.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 7236837
1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 7397516
3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330600
2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone
CID 5079864
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 4601348
(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone
CID 42780998
2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 3627515
1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263285
1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263286
3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
CID 122329235
1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone
CID 42781042
(2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
CID 122329222

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one (CID 815330) is 3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one is O=C(CCc1ccccc1)N1CCS[C@@H]1c1ccncc1.
What is the InChIKey of 3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is KHKOGJZRMGHUDR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-16(7-6-14-4-2-1-3-5-14)19-12-13-21-17(19)15-8-10-18-11-9-15/h1-5,8-11,17H,6-7,12-13H2/t17-/m1/s1.
What are the key properties of 3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one?
3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 298.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 815330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).