(4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide

C22H19FN2O2S — CID 95154769

IUPAC(4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C22H19FN2O2S/c23-18-10-3-4-11-19(18)24-22(27)20-13-28-14-25(20)21(26)12-16-8-5-7-15-6-1-2-9-17(15)16/h1-11,20H,12-14H2,(H,24,27)/t20-/m1/s1
InChIKeyBQOWQKIPJJZLAU-HXUWFJFHSA-N
MW394.47 g/mol
LogP4.06
Rot. Bonds4

About (4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95154769) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is (4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95154769
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC Name(4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C22H19FN2O2S/c23-18-10-3-4-11-19(18)24-22(27)20-13-28-14-25(20)21(26)12-16-8-5-7-15-6-1-2-9-17(15)16/h1-11,20H,12-14H2,(H,24,27)/t20-/m1/s1
InChIKeyBQOWQKIPJJZLAU-HXUWFJFHSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 97067644
3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 4317382
(4R)-3-[2-(2,4-difluorophenoxy)acetyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 95159673
3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745326
(4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 95236593
N-(4-cyanophenyl)-3-(2-isoquinolin-5-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 166356156
3-(3,5-dimethoxybenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745754
(4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 95292279
N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 122131672
(4R)-3-(2-chloro-4-nitrobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 95703211
3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 51330773
3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 72685702

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide (CID 95154769) is (4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide is O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)Cc1cccc2ccccc12.
What is the InChIKey of (4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is BQOWQKIPJJZLAU-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c23-18-10-3-4-11-19(18)24-22(27)20-13-28-14-25(20)21(26)12-16-8-5-7-15-6-1-2-9-17(15)16/h1-11,20H,12-14H2,(H,24,27)/t20-/m1/s1.
What are the key properties of (4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95154769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).