1-(2-fluorophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea

C16H13FN4O2S — CID 881029

IUPAC1-(2-fluorophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCOc1cccc(-c2nnc(NC(=O)Nc3ccccc3F)s2)c1
InChIInChI=1S/C16H13FN4O2S/c1-23-11-6-4-5-10(9-11)14-20-21-16(24-14)19-15(22)18-13-8-3-2-7-12(13)17/h2-9H,1H3,(H2,18,19,21,22)
InChIKeyQDZOZSICOFGYCT-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.00
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea

1-(2-fluorophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 881029) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID881029
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC Name1-(2-fluorophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCOc1cccc(-c2nnc(NC(=O)Nc3ccccc3F)s2)c1
InChIInChI=1S/C16H13FN4O2S/c1-23-11-6-4-5-10(9-11)14-20-21-16(24-14)19-15(22)18-13-8-3-2-7-12(13)17/h2-9H,1H3,(H2,18,19,21,22)
InChIKeyQDZOZSICOFGYCT-UHFFFAOYSA-N
XLogP4.00
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(2-Fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea
CID 949458
1-(2-Fluorophenyl)-3-(5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl)urea
CID 950184
1-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 1362085
1-(4-Fluorophenyl)-3-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]urea
CID 1389244
1-{5-[(2-Fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-fluorophenyl)urea
CID 1951470
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N'-(4-methoxyphenyl)urea
CID 3238317
1-(4-Methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 4622855
N-(4-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 4622858
1-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-3-p-tolyl-urea
CID 1075705
1-(2-Methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea
CID 2895799
1,3,4-Thiadiazol-2-amine, N-phenyl-5-(3,4,5-trimethoxyphenyl)-
CID 215250
1-(4-Methoxyphenyl)-3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 659530

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea (CID 881029) is 1-(2-fluorophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea is COc1cccc(-c2nnc(NC(=O)Nc3ccccc3F)s2)c1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is QDZOZSICOFGYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c1-23-11-6-4-5-10(9-11)14-20-21-16(24-14)19-15(22)18-13-8-3-2-7-12(13)17/h2-9H,1H3,(H2,18,19,21,22).
What are the key properties of 1-(2-fluorophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea?
1-(2-fluorophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 344.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 881029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).