ethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C24H24F2N2O3S — CID 59232871

IUPACethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C(C)(C)C(c2ccc(F)cc2)c2ccc(F)cc2)nc1C
InChIInChI=1S/C24H24F2N2O3S/c1-5-31-21(29)20-14(2)27-23(32-20)28-22(30)24(3,4)19(15-6-10-17(25)11-7-15)16-8-12-18(26)13-9-16/h6-13,19H,5H2,1-4H3,(H,27,28,30)
InChIKeyPQLKBJRFQHIMOO-UHFFFAOYSA-N
MW458.53 g/mol
LogP5.70
Rot. Bonds7

About ethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 59232871) has the molecular formula C24H24F2N2O3S and a molecular weight of 458.53 g/mol. Its IUPAC name is ethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID59232871
Molecular FormulaC24H24F2N2O3S
Molecular Weight458.53 g/mol
Exact Mass458.15
IUPAC Nameethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C(C)(C)C(c2ccc(F)cc2)c2ccc(F)cc2)nc1C
InChIInChI=1S/C24H24F2N2O3S/c1-5-31-21(29)20-14(2)27-23(32-20)28-22(30)24(3,4)19(15-6-10-17(25)11-7-15)16-8-12-18(26)13-9-16/h6-13,19H,5H2,1-4H3,(H,27,28,30)
InChIKeyPQLKBJRFQHIMOO-UHFFFAOYSA-N
XLogP5.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.53
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 41141927
ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 41086947
ethyl 2-[(4-fluorobenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2282070
ethyl 2-[(2E)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 73354002
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 2-[[2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 16616979
ethyl 2-[[2-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 19729612
ethyl 2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 3562990
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
ethyl 2-[[2-[[5-[1-(4-fluorophenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 19640425
ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 86635202
2-methylpropyl 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylate
CID 110443163

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 59232871) is ethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)C(C)(C)C(c2ccc(F)cc2)c2ccc(F)cc2)nc1C.
What is the InChIKey of ethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is PQLKBJRFQHIMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O3S/c1-5-31-21(29)20-14(2)27-23(32-20)28-22(30)24(3,4)19(15-6-10-17(25)11-7-15)16-8-12-18(26)13-9-16/h6-13,19H,5H2,1-4H3,(H,27,28,30).
What are the key properties of ethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 458.53 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59232871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).