[2-[4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]-phenylmethanone

C18H17NO3S — CID 22104466

IUPAC[2-[4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CSCC1CO
InChIInChI=1S/C18H17NO3S/c20-10-14-11-23-12-19(14)18(22)16-9-5-4-8-15(16)17(21)13-6-2-1-3-7-13/h1-9,14,20H,10-12H2
InChIKeyPLDBVVMZLABRIN-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.42
Rot. Bonds4

About [2-[4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]-phenylmethanone

[2-[4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]-phenylmethanone (PubChem CID 22104466) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is [2-[4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]-phenylmethanone
PubChem CID22104466
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name[2-[4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CSCC1CO
InChIInChI=1S/C18H17NO3S/c20-10-14-11-23-12-19(14)18(22)16-9-5-4-8-15(16)17(21)13-6-2-1-3-7-13/h1-9,14,20H,10-12H2
InChIKeyPLDBVVMZLABRIN-UHFFFAOYSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[2-[(4S)-4-(chloromethyl)-1,3-thiazolidine-3-carbonyl]phenyl]disulfanyl]phenyl]-[(4S)-4-(chloromethyl)-1,3-thiazolidin-3-yl]methanone
CID 10460082
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 110886887
phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride
CID 138999143
ethyl 3-[2-[(3R)-3-(hydroxymethyl)thiomorpholine-4-carbonyl]phenyl]propanoate
CID 156874429
6-bromo-N-[[(4R)-3-(2-phenylbenzoyl)-1,3-thiazolidin-4-yl]methyl]pyridine-2-carboxamide
CID 91431384
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51183590
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
[2-[(4S,4aR,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinoline-1-carbonyl]phenyl]-phenylmethanone
CID 59285619
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
CID 97233562

Frequently Asked Questions

What is the IUPAC name of [2-[4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]-phenylmethanone (CID 22104466) is [2-[4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1C(=O)N1CSCC1CO.
What is the InChIKey of [2-[4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]-phenylmethanone?
The InChIKey is PLDBVVMZLABRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c20-10-14-11-23-12-19(14)18(22)16-9-5-4-8-15(16)17(21)13-6-2-1-3-7-13/h1-9,14,20H,10-12H2.
What are the key properties of [2-[4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]-phenylmethanone?
[2-[4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]-phenylmethanone has a molecular weight of 327.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(hydroxymethyl)-1,3-thiazolidine-3-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 22104466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).