(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide

C19H28N2O2S — CID 93041089

IUPAC(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H28N2O2S/c1-6-13(2)20-17(22)16-11-24-12-21(16)18(23)14-7-9-15(10-8-14)19(3,4)5/h7-10,13,16H,6,11-12H2,1-5H3,(H,20,22)/t13-,16-/m0/s1
InChIKeyFNEDVOXJGZMYTL-BBRMVZONSA-N
MW348.51 g/mol
LogP3.41
Rot. Bonds4

About (4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide

(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 93041089) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is (4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID93041089
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H28N2O2S/c1-6-13(2)20-17(22)16-11-24-12-21(16)18(23)14-7-9-15(10-8-14)19(3,4)5/h7-10,13,16H,6,11-12H2,1-5H3,(H,20,22)/t13-,16-/m0/s1
InChIKeyFNEDVOXJGZMYTL-BBRMVZONSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 60609336
3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237397
N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745328
3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide
CID 86891362
N-butan-2-yl-3-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745410
3-(4-tert-butylbenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119506268
(4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 97315914
3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
CID 42745323
4-[4-(tert-butylcarbamoyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183811
3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745326
(4R)-3-benzoyl-N-[(1S)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 3077631
(4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 95581574

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide (CID 93041089) is (4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide is CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is FNEDVOXJGZMYTL-BBRMVZONSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-6-13(2)20-17(22)16-11-24-12-21(16)18(23)14-7-9-15(10-8-14)19(3,4)5/h7-10,13,16H,6,11-12H2,1-5H3,(H,20,22)/t13-,16-/m0/s1.
What are the key properties of (4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 93041089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).