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

C15H20FN5O4S2 — CID 66999302

IUPAC1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea
SMILESCC(C)COc1cc(F)ccc1NC(=O)Nc1nc(CNS(C)(=O)=O)ns1
InChIInChI=1S/C15H20FN5O4S2/c1-9(2)8-25-12-6-10(16)4-5-11(12)18-14(22)20-15-19-13(21-26-15)7-17-27(3,23)24/h4-6,9,17H,7-8H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyHVYXZRSQBHJUDZ-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.41
Rot. Bonds8

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

1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea (PubChem CID 66999302) has the molecular formula C15H20FN5O4S2 and a molecular weight of 417.49 g/mol. Its IUPAC name is 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea.

Molecular Properties

Compound Name1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea
PubChem CID66999302
Molecular FormulaC15H20FN5O4S2
Molecular Weight417.49 g/mol
Exact Mass417.09
IUPAC Name1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea
SMILESCC(C)COc1cc(F)ccc1NC(=O)Nc1nc(CNS(C)(=O)=O)ns1
InChIInChI=1S/C15H20FN5O4S2/c1-9(2)8-25-12-6-10(16)4-5-11(12)18-14(22)20-15-19-13(21-26-15)7-17-27(3,23)24/h4-6,9,17H,7-8H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyHVYXZRSQBHJUDZ-UHFFFAOYSA-N
XLogP2.41
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea?
The IUPAC name of 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea (CID 66999302) is 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea.
What is the SMILES notation for 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea?
The canonical SMILES for 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea is CC(C)COc1cc(F)ccc1NC(=O)Nc1nc(CNS(C)(=O)=O)ns1.
What is the InChIKey of 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea?
The InChIKey is HVYXZRSQBHJUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O4S2/c1-9(2)8-25-12-6-10(16)4-5-11(12)18-14(22)20-15-19-13(21-26-15)7-17-27(3,23)24/h4-6,9,17H,7-8H2,1-3H3,(H2,18,19,20,21,22).
What are the key properties of 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea?
1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea has a molecular weight of 417.49 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea is sourced from PubChem (CID 66999302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).