4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid

C14H11F4NO3S — CID 10689117

IUPAC4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(OCC(F)(F)C(F)F)cc2)sc1C(=O)O
InChIInChI=1S/C14H11F4NO3S/c1-7-10(12(20)21)23-11(19-7)8-2-4-9(5-3-8)22-6-14(17,18)13(15)16/h2-5,13H,6H2,1H3,(H,20,21)
InChIKeyKWVACZNBGKTIIZ-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.10
Rot. Bonds6

About 4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 10689117) has the molecular formula C14H11F4NO3S and a molecular weight of 349.31 g/mol. Its IUPAC name is 4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid
PubChem CID10689117
Molecular FormulaC14H11F4NO3S
Molecular Weight349.31 g/mol
Exact Mass349.04
IUPAC Name4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(OCC(F)(F)C(F)F)cc2)sc1C(=O)O
InChIInChI=1S/C14H11F4NO3S/c1-7-10(12(20)21)23-11(19-7)8-2-4-9(5-3-8)22-6-14(17,18)13(15)16/h2-5,13H,6H2,1H3,(H,20,21)
InChIKeyKWVACZNBGKTIIZ-UHFFFAOYSA-N
XLogP4.10
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid 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-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 4980405
4-methyl-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-5-carboxylic acid
CID 20990595
2-[4-[2-(2-methoxyphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20988096
4-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 79018828
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
4-methyl-2-[4-(2-methylpropylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 94805015
2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 45370467
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
2-[4-(2-methoxyphenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20984655
2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19965147
2-[4-[(3-methoxyphenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980611
N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119625993

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid (CID 10689117) is 4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccc(OCC(F)(F)C(F)F)cc2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is KWVACZNBGKTIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO3S/c1-7-10(12(20)21)23-11(19-7)8-2-4-9(5-3-8)22-6-14(17,18)13(15)16/h2-5,13H,6H2,1H3,(H,20,21).
What are the key properties of 4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 349.31 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 10689117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).