2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

C14H13F2NO3S — CID 114360741

IUPAC2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(-c2ccc(OC(F)F)cc2)sc1C(=O)O
InChIInChI=1S/C14H13F2NO3S/c1-7(2)10-11(13(18)19)21-12(17-10)8-3-5-9(6-4-8)20-14(15)16/h3-7,14H,1-2H3,(H,18,19)
InChIKeyLVYJFMRDMPKQCP-UHFFFAOYSA-N
MW313.33 g/mol
LogP4.23
Rot. Bonds5

About 2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 114360741) has the molecular formula C14H13F2NO3S and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID114360741
Molecular FormulaC14H13F2NO3S
Molecular Weight313.33 g/mol
Exact Mass313.06
IUPAC Name2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(-c2ccc(OC(F)F)cc2)sc1C(=O)O
InChIInChI=1S/C14H13F2NO3S/c1-7(2)10-11(13(18)19)21-12(17-10)8-3-5-9(6-4-8)20-14(15)16/h3-7,14H,1-2H3,(H,18,19)
InChIKeyLVYJFMRDMPKQCP-UHFFFAOYSA-N
XLogP4.23
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 98032866
2-(2-fluoro-6-methylsulfanylphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114359820
4-methyl-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 10689117
2-(7-bromo-1,3-benzodioxol-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114360710
2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114360697
2-(4-bromothiophen-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114359852
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
2-(4-fluoro-N-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393052
N-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55686975
3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 75357349
3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid
CID 103485230
4-[(4-methylphenoxy)methyl]-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226795

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 114360741) is 2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(-c2ccc(OC(F)F)cc2)sc1C(=O)O.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is LVYJFMRDMPKQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S/c1-7(2)10-11(13(18)19)21-12(17-10)8-3-5-9(6-4-8)20-14(15)16/h3-7,14H,1-2H3,(H,18,19).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 313.33 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).