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

C13H14FN3O2S — CID 25050520

IUPAC1-[(3-fluorophenyl)methyl]-3-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]urea
SMILESO=C(NCc1cccc(F)c1)Nc1nc(CCO)cs1
InChIInChI=1S/C13H14FN3O2S/c14-10-3-1-2-9(6-10)7-15-12(19)17-13-16-11(4-5-18)8-20-13/h1-3,6,8,18H,4-5,7H2,(H2,15,16,17,19)
InChIKeyNPZPIHQQJDGIAZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.14
Rot. Bonds5

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

1-[(3-fluorophenyl)methyl]-3-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]urea (PubChem CID 25050520) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]urea
PubChem CID25050520
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name1-[(3-fluorophenyl)methyl]-3-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]urea
SMILESO=C(NCc1cccc(F)c1)Nc1nc(CCO)cs1
InChIInChI=1S/C13H14FN3O2S/c14-10-3-1-2-9(6-10)7-15-12(19)17-13-16-11(4-5-18)8-20-13/h1-3,6,8,18H,4-5,7H2,(H2,15,16,17,19)
InChIKeyNPZPIHQQJDGIAZ-UHFFFAOYSA-N
XLogP2.14
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]urea (CID 25050520) is 1-[(3-fluorophenyl)methyl]-3-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]urea is O=C(NCc1cccc(F)c1)Nc1nc(CCO)cs1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is NPZPIHQQJDGIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c14-10-3-1-2-9(6-10)7-15-12(19)17-13-16-11(4-5-18)8-20-13/h1-3,6,8,18H,4-5,7H2,(H2,15,16,17,19).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]urea?
1-[(3-fluorophenyl)methyl]-3-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 295.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 25050520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).