cyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol

C13H10F2N2OS — CID 70951168

IUPACcyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol
SMILESOC(Nc1ncsc1-c1c(F)cccc1F)=C1CC1
InChIInChI=1S/C13H10F2N2OS/c14-8-2-1-3-9(15)10(8)11-12(16-6-19-11)17-13(18)7-4-5-7/h1-3,6,17-18H,4-5H2
InChIKeyFCAJDIZHNFLACE-UHFFFAOYSA-N
MW280.30 g/mol
LogP4.06
Rot. Bonds3

About cyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol

cyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol (PubChem CID 70951168) has the molecular formula C13H10F2N2OS and a molecular weight of 280.30 g/mol. Its IUPAC name is cyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol.

Molecular Properties

Compound Namecyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol
PubChem CID70951168
Molecular FormulaC13H10F2N2OS
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Namecyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol
SMILESOC(Nc1ncsc1-c1c(F)cccc1F)=C1CC1
InChIInChI=1S/C13H10F2N2OS/c14-8-2-1-3-9(15)10(8)11-12(16-6-19-11)17-13(18)7-4-5-7/h1-3,6,17-18H,4-5H2
InChIKeyFCAJDIZHNFLACE-UHFFFAOYSA-N
XLogP4.06
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol?
The IUPAC name of cyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol (CID 70951168) is cyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol.
What is the SMILES notation for cyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol?
The canonical SMILES for cyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol is OC(Nc1ncsc1-c1c(F)cccc1F)=C1CC1.
What is the InChIKey of cyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol?
The InChIKey is FCAJDIZHNFLACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2OS/c14-8-2-1-3-9(15)10(8)11-12(16-6-19-11)17-13(18)7-4-5-7/h1-3,6,17-18H,4-5H2.
What are the key properties of cyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol?
cyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol has a molecular weight of 280.30 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol is sourced from PubChem (CID 70951168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).