1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide

C18H22FN3OS — CID 110439782

IUPAC1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2(c3ccccc3F)CCCC2)s1
InChIInChI=1S/C18H22FN3OS/c1-12(2)11-15-21-22-17(24-15)20-16(23)18(9-5-6-10-18)13-7-3-4-8-14(13)19/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,20,22,23)
InChIKeyRAMHJXDNUZKOBZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.33
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide

1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide (PubChem CID 110439782) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
PubChem CID110439782
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC Name1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2(c3ccccc3F)CCCC2)s1
InChIInChI=1S/C18H22FN3OS/c1-12(2)11-15-21-22-17(24-15)20-16(23)18(9-5-6-10-18)13-7-3-4-8-14(13)19/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,20,22,23)
InChIKeyRAMHJXDNUZKOBZ-UHFFFAOYSA-N
XLogP4.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide 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-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide (CID 110439782) is 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide is CC(C)Cc1nnc(NC(=O)C2(c3ccccc3F)CCCC2)s1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide?
The InChIKey is RAMHJXDNUZKOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3OS/c1-12(2)11-15-21-22-17(24-15)20-16(23)18(9-5-6-10-18)13-7-3-4-8-14(13)19/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,20,22,23).
What are the key properties of 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide?
1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110439782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).