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

C11H11FN4O2S — CID 94024663

IUPAC1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(NC[C@H](O)c1ccccc1F)Nc1nncs1
InChIInChI=1S/C11H11FN4O2S/c12-8-4-2-1-3-7(8)9(17)5-13-10(18)15-11-16-14-6-19-11/h1-4,6,9,17H,5H2,(H2,13,15,16,18)/t9-/m0/s1
InChIKeyGJHQLSAKHVHYCB-VIFPVBQESA-N
MW282.30 g/mol
LogP1.53
Rot. Bonds4

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

1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 94024663) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID94024663
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Name1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(NC[C@H](O)c1ccccc1F)Nc1nncs1
InChIInChI=1S/C11H11FN4O2S/c12-8-4-2-1-3-7(8)9(17)5-13-10(18)15-11-16-14-6-19-11/h1-4,6,9,17H,5H2,(H2,13,15,16,18)/t9-/m0/s1
InChIKeyGJHQLSAKHVHYCB-VIFPVBQESA-N
XLogP1.53
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2-hydroxy-2-phenylethyl)acetamide
CID 46992494
1-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 45820928
1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 45821321
1-[2-(2-Fluorophenyl)-2-hydroxyethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 45821425
1-[[2-(Hydroxymethyl)phenyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 47360426
1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 51080309
1-(3,5-Difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol
CID 143107482
1-[2-(2-Fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 45820074
1-[2-(2,4-Difluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 45820075
1-[2-(3,4-Difluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 45820077
1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 45821056
1-[2-(3,4-Difluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 45821058

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea (CID 94024663) is 1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea is O=C(NC[C@H](O)c1ccccc1F)Nc1nncs1.
What is the InChIKey of 1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is GJHQLSAKHVHYCB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11FN4O2S/c12-8-4-2-1-3-7(8)9(17)5-13-10(18)15-11-16-14-6-19-11/h1-4,6,9,17H,5H2,(H2,13,15,16,18)/t9-/m0/s1.
What are the key properties of 1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 282.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 94024663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).