3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide

C21H23FN2O2S — CID 42745326

IUPAC3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CSCC2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C21H23FN2O2S/c1-21(2,3)15-10-8-14(9-11-15)20(26)24-13-27-12-18(24)19(25)23-17-7-5-4-6-16(17)22/h4-11,18H,12-13H2,1-3H3,(H,23,25)
InChIKeyWPZGTVHZCBLVAQ-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.28
Rot. Bonds3

About 3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide

3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745326) has the molecular formula C21H23FN2O2S and a molecular weight of 386.49 g/mol. Its IUPAC name is 3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745326
Molecular FormulaC21H23FN2O2S
Molecular Weight386.49 g/mol
Exact Mass386.15
IUPAC Name3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CSCC2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C21H23FN2O2S/c1-21(2,3)15-10-8-14(9-11-15)20(26)24-13-27-12-18(24)19(25)23-17-7-5-4-6-16(17)22/h4-11,18H,12-13H2,1-3H3,(H,23,25)
InChIKeyWPZGTVHZCBLVAQ-UHFFFAOYSA-N
XLogP4.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethoxybenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745754
3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 51330773
(4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 95236593
3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 4317382
3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237397
(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 93041089
3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
CID 42745323
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
(4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 97067644
3-(4-tert-butylbenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119506268
(4R)-3-(4-ethoxybenzoyl)-N-(2-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97312987
(4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 52716357

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide (CID 42745326) is 3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide is CC(C)(C)c1ccc(C(=O)N2CSCC2C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is WPZGTVHZCBLVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2S/c1-21(2,3)15-10-8-14(9-11-15)20(26)24-13-27-12-18(24)19(25)23-17-7-5-4-6-16(17)22/h4-11,18H,12-13H2,1-3H3,(H,23,25).
What are the key properties of 3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 386.49 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).