4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid

C10H8F2N2O2S2 — CID 79150013

IUPAC4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(SCc2nccn2C(F)F)cs1
InChIInChI=1S/C10H8F2N2O2S2/c11-10(12)14-2-1-13-8(14)5-17-6-3-7(9(15)16)18-4-6/h1-4,10H,5H2,(H,15,16)
InChIKeyUJHQCZXSMHXVOW-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.33
Rot. Bonds5

About 4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid

4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid (PubChem CID 79150013) has the molecular formula C10H8F2N2O2S2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid
PubChem CID79150013
Molecular FormulaC10H8F2N2O2S2
Molecular Weight290.32 g/mol
Exact Mass290.00
IUPAC Name4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(SCc2nccn2C(F)F)cs1
InChIInChI=1S/C10H8F2N2O2S2/c11-10(12)14-2-1-13-8(14)5-17-6-3-7(9(15)16)18-4-6/h1-4,10H,5H2,(H,15,16)
InChIKeyUJHQCZXSMHXVOW-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylimidazol-2-yl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79149430
2-[4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]phenyl]acetic acid
CID 64928160
3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]phenol
CID 113430077
2-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 43144077
3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]benzaldehyde
CID 66353881
4-(2-methylpropylsulfanyl)thiophene-2-carboxylic acid
CID 79149154
2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]aniline
CID 43144094
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 17409713
4-[(6-chloro-3-pyridinyl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79150086
4-(2-bromoprop-2-enylsulfanyl)thiophene-2-carboxylic acid
CID 79149518
4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid
CID 82927723
4-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79140151

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid (CID 79150013) is 4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid is O=C(O)c1cc(SCc2nccn2C(F)F)cs1.
What is the InChIKey of 4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid?
The InChIKey is UJHQCZXSMHXVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2S2/c11-10(12)14-2-1-13-8(14)5-17-6-3-7(9(15)16)18-4-6/h1-4,10H,5H2,(H,15,16).
What are the key properties of 4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid?
4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 79150013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).