5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine

C9H10F2N4S2 — CID 43144099

IUPAC5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCc1nccn1C(F)F
InChIInChI=1S/C9H10F2N4S2/c1-5-7(17-9(12)14-5)16-4-6-13-2-3-15(6)8(10)11/h2-3,8H,4H2,1H3,(H2,12,14)
InChIKeyUIUVVEPXYDVGDX-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.92
Rot. Bonds4

About 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine

5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 43144099) has the molecular formula C9H10F2N4S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID43144099
Molecular FormulaC9H10F2N4S2
Molecular Weight276.34 g/mol
Exact Mass276.03
IUPAC Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCc1nccn1C(F)F
InChIInChI=1S/C9H10F2N4S2/c1-5-7(17-9(12)14-5)16-4-6-13-2-3-15(6)8(10)11/h2-3,8H,4H2,1H3,(H2,12,14)
InChIKeyUIUVVEPXYDVGDX-UHFFFAOYSA-N
XLogP2.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine (CID 43144099) is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1SCc1nccn1C(F)F.
What is the InChIKey of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is UIUVVEPXYDVGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4S2/c1-5-7(17-9(12)14-5)16-4-6-13-2-3-15(6)8(10)11/h2-3,8H,4H2,1H3,(H2,12,14).
What are the key properties of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 276.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43144099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).