3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide

C20H26N2O3S — CID 72685920

IUPAC3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESC=C(C)COc1cccc(NC(=O)C2CSCN2C(=O)C(C)=CCC)c1
InChIInChI=1S/C20H26N2O3S/c1-5-7-15(4)20(24)22-13-26-12-18(22)19(23)21-16-8-6-9-17(10-16)25-11-14(2)3/h6-10,18H,2,5,11-13H2,1,3-4H3,(H,21,23)
InChIKeyWUGBJKGYYBGWAF-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.84
Rot. Bonds7

About 3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide

3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 72685920) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID72685920
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESC=C(C)COc1cccc(NC(=O)C2CSCN2C(=O)C(C)=CCC)c1
InChIInChI=1S/C20H26N2O3S/c1-5-7-15(4)20(24)22-13-26-12-18(22)19(23)21-16-8-6-9-17(10-16)25-11-14(2)3/h6-10,18H,2,5,11-13H2,1,3-4H3,(H,21,23)
InChIKeyWUGBJKGYYBGWAF-UHFFFAOYSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 95383054
2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid
CID 119224881
2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
CID 110015626
N-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 72685878
3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55800443
N-[2-methyl-2-(3-methylphenyl)propyl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 72685910
2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
CID 76868356
(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide
CID 124562005
N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 72685916
N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide
CID 17122582
1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea
CID 17122466
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide (CID 72685920) is 3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide is C=C(C)COc1cccc(NC(=O)C2CSCN2C(=O)C(C)=CCC)c1.
What is the InChIKey of 3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is WUGBJKGYYBGWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-7-15(4)20(24)22-13-26-12-18(22)19(23)21-16-8-6-9-17(10-16)25-11-14(2)3/h6-10,18H,2,5,11-13H2,1,3-4H3,(H,21,23).
What are the key properties of 3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide?
3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 72685920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).