1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea

C14H17FN4O2S — CID 66999532

IUPAC1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
SMILESCc1nsc(NC(=O)Nc2ccc(F)cc2OCC(C)C)n1
InChIInChI=1S/C14H17FN4O2S/c1-8(2)7-21-12-6-10(15)4-5-11(12)17-13(20)18-14-16-9(3)19-22-14/h4-6,8H,7H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyMOWYZRVPESZFTD-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.66
Rot. Bonds5

About 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea

1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 66999532) has the molecular formula C14H17FN4O2S and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID66999532
Molecular FormulaC14H17FN4O2S
Molecular Weight324.38 g/mol
Exact Mass324.11
IUPAC Name1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
SMILESCc1nsc(NC(=O)Nc2ccc(F)cc2OCC(C)C)n1
InChIInChI=1S/C14H17FN4O2S/c1-8(2)7-21-12-6-10(15)4-5-11(12)17-13(20)18-14-16-9(3)19-22-14/h4-6,8H,7H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyMOWYZRVPESZFTD-UHFFFAOYSA-N
XLogP3.66
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(2-methoxy-phenyl)-urea
CID 3779520
1-(2-Methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 10711230
1-(4-Fluoro-2-propoxyphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 71970176
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea
CID 66999167
1-[4-Fluoro-2-(2-methylpropoxy)phenyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 66999176
1-[4-Fluoro-2-(2-methylpropoxy)phenyl]-3-(1,2,4-thiadiazol-5-yl)urea
CID 66999180
1-[4-Fluoro-2-(2-methylpropoxy)phenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea
CID 66999289
1-[4-Fluoro-2-(2-methylpropoxy)phenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea
CID 66999302
2-[5-[[4-Fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid
CID 66999349
1-[4-Fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)urea
CID 66999503
Ethyl 5-[2-(trifluoromethoxy)anilino]-1,2,4-thiadiazole-3-carboxylate
CID 90027258
N-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide
CID 118438284

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea (CID 66999532) is 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea is Cc1nsc(NC(=O)Nc2ccc(F)cc2OCC(C)C)n1.
What is the InChIKey of 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is MOWYZRVPESZFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2S/c1-8(2)7-21-12-6-10(15)4-5-11(12)17-13(20)18-14-16-9(3)19-22-14/h4-6,8H,7H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 324.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 66999532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).