1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea

C12H12FN3O2S — CID 64543045

IUPAC1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea
SMILESCC(O)c1csc(NC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C12H12FN3O2S/c1-7(17)10-6-19-12(15-10)16-11(18)14-9-5-3-2-4-8(9)13/h2-7,17H,1H3,(H2,14,15,16,18)
InChIKeyFHAIJHZXPMKUGG-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.98
Rot. Bonds3

About 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea

1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea (PubChem CID 64543045) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea
PubChem CID64543045
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea
SMILESCC(O)c1csc(NC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C12H12FN3O2S/c1-7(17)10-6-19-12(15-10)16-11(18)14-9-5-3-2-4-8(9)13/h2-7,17H,1H3,(H2,14,15,16,18)
InChIKeyFHAIJHZXPMKUGG-UHFFFAOYSA-N
XLogP2.98
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea
CID 46947891
1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea
CID 110491780
2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 91159765
1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea
CID 46943777
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127167
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 60728580
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea
CID 121082547
1-(2-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 110439770
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-propan-2-yloxyacetamide
CID 112603240
2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62661911

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea (CID 64543045) is 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea is CC(O)c1csc(NC(=O)Nc2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is FHAIJHZXPMKUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-7(17)10-6-19-12(15-10)16-11(18)14-9-5-3-2-4-8(9)13/h2-7,17H,1H3,(H2,14,15,16,18).
What are the key properties of 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea?
1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 281.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 64543045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).