[5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid

C13H11FN2O2S — CID 135353351

IUPAC[5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid
SMILESC/C=C(/c1cccc(F)c1)c1scnc1NC(=O)O
InChIInChI=1S/C13H11FN2O2S/c1-2-10(8-4-3-5-9(14)6-8)11-12(15-7-19-11)16-13(17)18/h2-7,16H,1H3,(H,17,18)/b10-2-
InChIKeyHQITZFSXYIHWPK-SGAXSIHGSA-N
MW278.31 g/mol
LogP3.82
Rot. Bonds3

About [5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid

[5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid (PubChem CID 135353351) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is [5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid.

Molecular Properties

Compound Name[5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid
PubChem CID135353351
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC Name[5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid
SMILESC/C=C(/c1cccc(F)c1)c1scnc1NC(=O)O
InChIInChI=1S/C13H11FN2O2S/c1-2-10(8-4-3-5-9(14)6-8)11-12(15-7-19-11)16-13(17)18/h2-7,16H,1H3,(H,17,18)/b10-2-
InChIKeyHQITZFSXYIHWPK-SGAXSIHGSA-N
XLogP3.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid?
The IUPAC name of [5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid (CID 135353351) is [5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid.
What is the SMILES notation for [5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid?
The canonical SMILES for [5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid is C/C=C(/c1cccc(F)c1)c1scnc1NC(=O)O.
What is the InChIKey of [5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid?
The InChIKey is HQITZFSXYIHWPK-SGAXSIHGSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c1-2-10(8-4-3-5-9(14)6-8)11-12(15-7-19-11)16-13(17)18/h2-7,16H,1H3,(H,17,18)/b10-2-.
What are the key properties of [5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid?
[5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid has a molecular weight of 278.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid is sourced from PubChem (CID 135353351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).