methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate

C10H11F4NO3S — CID 103473424

IUPACmethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(COCC(F)(F)C(F)F)nc1C
InChIInChI=1S/C10H11F4NO3S/c1-5-7(8(16)17-2)19-6(15-5)3-18-4-10(13,14)9(11)12/h9H,3-4H2,1-2H3
InChIKeyHZBJAZXIXUTDRC-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.66
Rot. Bonds6

About methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate (PubChem CID 103473424) has the molecular formula C10H11F4NO3S and a molecular weight of 301.26 g/mol. Its IUPAC name is methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate
PubChem CID103473424
Molecular FormulaC10H11F4NO3S
Molecular Weight301.26 g/mol
Exact Mass301.04
IUPAC Namemethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(COCC(F)(F)C(F)F)nc1C
InChIInChI=1S/C10H11F4NO3S/c1-5-7(8(16)17-2)19-6(15-5)3-18-4-10(13,14)9(11)12/h9H,3-4H2,1-2H3
InChIKeyHZBJAZXIXUTDRC-UHFFFAOYSA-N
XLogP2.66
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 103473433
1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 103476002
N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103476411
1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103476460
4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide
CID 103477251
N-[[4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 103476490
2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid
CID 103473361
methyl 4-methyl-2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylate
CID 80570205
ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
CID 103476111
methyl 2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 113288023
3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid
CID 120522680
methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 82115430

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate (CID 103473424) is methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(COCC(F)(F)C(F)F)nc1C.
What is the InChIKey of methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is HZBJAZXIXUTDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO3S/c1-5-7(8(16)17-2)19-6(15-5)3-18-4-10(13,14)9(11)12/h9H,3-4H2,1-2H3.
What are the key properties of methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 301.26 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 103473424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).