2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid

C15H17FN4O4S — CID 66999349

IUPAC2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid
SMILESCC(C)COc1cc(F)ccc1NC(=O)Nc1nc(CC(=O)O)ns1
InChIInChI=1S/C15H17FN4O4S/c1-8(2)7-24-11-5-9(16)3-4-10(11)17-14(23)19-15-18-12(20-25-15)6-13(21)22/h3-5,8H,6-7H2,1-2H3,(H,21,22)(H2,17,18,19,20,23)
InChIKeyCROFTVKNIDTYMD-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.98
Rot. Bonds7

About 2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid

2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid (PubChem CID 66999349) has the molecular formula C15H17FN4O4S and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid
PubChem CID66999349
Molecular FormulaC15H17FN4O4S
Molecular Weight368.39 g/mol
Exact Mass368.10
IUPAC Name2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid
SMILESCC(C)COc1cc(F)ccc1NC(=O)Nc1nc(CC(=O)O)ns1
InChIInChI=1S/C15H17FN4O4S/c1-8(2)7-24-11-5-9(16)3-4-10(11)17-14(23)19-15-18-12(20-25-15)6-13(21)22/h3-5,8H,6-7H2,1-2H3,(H,21,22)(H2,17,18,19,20,23)
InChIKeyCROFTVKNIDTYMD-UHFFFAOYSA-N
XLogP2.98
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid 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 2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid?
The IUPAC name of 2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid (CID 66999349) is 2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid is CC(C)COc1cc(F)ccc1NC(=O)Nc1nc(CC(=O)O)ns1.
What is the InChIKey of 2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid?
The InChIKey is CROFTVKNIDTYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O4S/c1-8(2)7-24-11-5-9(16)3-4-10(11)17-14(23)19-15-18-12(20-25-15)6-13(21)22/h3-5,8H,6-7H2,1-2H3,(H,21,22)(H2,17,18,19,20,23).
What are the key properties of 2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid?
2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid has a molecular weight of 368.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,2,4-thiadiazol-3-yl]acetic acid is sourced from PubChem (CID 66999349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).