potassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

C16H9F3KN3O3S2 — CID 23694717

IUPACpotassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(/C=C1\SC(=O)[N-]C1=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.[K+]
InChIInChI=1S/C16H10F3N3O3S2.K/c17-16(18,19)9-3-1-2-8(4-9)5-10-7-20-14(26-10)21-12(23)6-11-13(24)22-15(25)27-11;/h1-4,6-7H,5H2,(H2,20,21,22,23,24,25);/q;+1/p-1/b11-6-;
InChIKeyQZPDNUPFSURZBE-AVHZNCSWSA-M
MW451.49 g/mol
LogP1.35
Rot. Bonds4

About potassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

potassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 23694717) has the molecular formula C16H9F3KN3O3S2 and a molecular weight of 451.49 g/mol. Its IUPAC name is potassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Namepotassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID23694717
Molecular FormulaC16H9F3KN3O3S2
Molecular Weight451.49 g/mol
Exact Mass450.97
IUPAC Namepotassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(/C=C1\SC(=O)[N-]C1=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.[K+]
InChIInChI=1S/C16H10F3N3O3S2.K/c17-16(18,19)9-3-1-2-8(4-9)5-10-7-20-14(26-10)21-12(23)6-11-13(24)22-15(25)27-11;/h1-4,6-7H,5H2,(H2,20,21,22,23,24,25);/q;+1/p-1/b11-6-;
InChIKeyQZPDNUPFSURZBE-AVHZNCSWSA-M
XLogP1.35
TPSA90.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 51328951
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47059650
N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 93202751
3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119698306
4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 37038090
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 5162943
4-[[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]carbamoylamino]butanoic acid
CID 122074596
(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7221097
6-[(5E)-4-oxo-5-[4-oxo-3-[6-oxo-6-[[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]hexyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide
CID 6201596
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6490726
2-(4-phenylmethoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 18836254
2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 6204135

Frequently Asked Questions

What is the IUPAC name of potassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of potassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (CID 23694717) is potassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for potassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for potassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is O=C(/C=C1\SC(=O)[N-]C1=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.[K+].
What is the InChIKey of potassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QZPDNUPFSURZBE-AVHZNCSWSA-M. The full InChI is InChI=1S/C16H10F3N3O3S2.K/c17-16(18,19)9-3-1-2-8(4-9)5-10-7-20-14(26-10)21-12(23)6-11-13(24)22-15(25)27-11;/h1-4,6-7H,5H2,(H2,20,21,22,23,24,25);/q;+1/p-1/b11-6-;.
What are the key properties of potassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
potassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 451.49 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 23694717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).