N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide

C21H24N2O2S — CID 60609336

IUPACN-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CSCN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H24N2O2S/c1-3-15(2)22-20(24)19-13-26-14-23(19)21(25)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,19H,3,13-14H2,1-2H3,(H,22,24)
InChIKeyCJPOFMLROPBPHL-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.78
Rot. Bonds5

About N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide

N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 60609336) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID60609336
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CSCN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H24N2O2S/c1-3-15(2)22-20(24)19-13-26-14-23(19)21(25)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,19H,3,13-14H2,1-2H3,(H,22,24)
InChIKeyCJPOFMLROPBPHL-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 93041089
N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745328
(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
(4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 97315914
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
N-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 60608994
N-butan-2-yl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 60608939
4-[4-(tert-butylcarbamoyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183811
3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237397
(4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 52716359

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide (CID 60609336) is N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide is CCC(C)NC(=O)C1CSCN1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is CJPOFMLROPBPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-3-15(2)22-20(24)19-13-26-14-23(19)21(25)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,19H,3,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide?
N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60609336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).