2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid

C18H24N2O5S — CID 119224881

IUPAC2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid
SMILESCC(C)(C)CC(=O)N1CSCC1C(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C18H24N2O5S/c1-18(2,3)8-15(21)20-11-26-10-14(20)17(24)19-12-5-4-6-13(7-12)25-9-16(22)23/h4-7,14H,8-11H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyCZFAYUGENWBCOF-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.43
Rot. Bonds6

About 2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid

2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid (PubChem CID 119224881) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid
PubChem CID119224881
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid
SMILESCC(C)(C)CC(=O)N1CSCC1C(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C18H24N2O5S/c1-18(2,3)8-15(21)20-11-26-10-14(20)17(24)19-12-5-4-6-13(7-12)25-9-16(22)23/h4-7,14H,8-11H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyCZFAYUGENWBCOF-UHFFFAOYSA-N
XLogP2.43
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid with MolForge

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Related Compounds

3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 72685920
3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55800443
N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 42749079
2-[3-(thiane-4-carbonylamino)phenoxy]acetic acid
CID 120523516
(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide
CID 124562005
2-[3-(tert-butylcarbamoylamino)phenoxy]acetic acid
CID 61057848
2-[3-(2,2-dimethylbutanoylamino)phenoxy]acetic acid
CID 62678206
2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255611
trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95390965
3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 24700572
tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 96564763
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249671

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid (CID 119224881) is 2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid is CC(C)(C)CC(=O)N1CSCC1C(=O)Nc1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid?
The InChIKey is CZFAYUGENWBCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-18(2,3)8-15(21)20-11-26-10-14(20)17(24)19-12-5-4-6-13(7-12)25-9-16(22)23/h4-7,14H,8-11H2,1-3H3,(H,19,24)(H,22,23).
What are the key properties of 2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid?
2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid has a molecular weight of 380.47 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 119224881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).