N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide

C17H24N2O2S — CID 42749079

IUPACN-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)CC(=O)N1CSCC1C(=O)NCc1ccccc1
InChIInChI=1S/C17H24N2O2S/c1-17(2,3)9-15(20)19-12-22-11-14(19)16(21)18-10-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,21)
InChIKeyWLCBWKDDLAILIS-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.64
Rot. Bonds4

About N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide

N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42749079) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42749079
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)CC(=O)N1CSCC1C(=O)NCc1ccccc1
InChIInChI=1S/C17H24N2O2S/c1-17(2,3)9-15(20)19-12-22-11-14(19)16(21)18-10-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,21)
InChIKeyWLCBWKDDLAILIS-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-N-[(3-cyanophenyl)methyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 95292753
(4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 97212140
(4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95327328
(4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95206426
(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 809777
N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 119642900
N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 119498502
N-[(4-fluorophenyl)methyl]-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 86809176
N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119642899
(4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 95612592
(4R)-3-benzoyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55938539
3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120945640

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide (CID 42749079) is N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide is CC(C)(C)CC(=O)N1CSCC1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is WLCBWKDDLAILIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-17(2,3)9-15(20)19-12-22-11-14(19)16(21)18-10-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,21).
What are the key properties of N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42749079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).