N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide

C13H11ClFN3OS — CID 167871628

IUPACN-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide
SMILESO=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1csnn1
InChIInChI=1S/C13H11ClFN3OS/c14-9-3-1-2-8(4-9)13(15)5-10(6-13)16-12(19)11-7-20-18-17-11/h1-4,7,10H,5-6H2,(H,16,19)
InChIKeyRZKRPBMPVIFFOI-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.95
Rot. Bonds3

About N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide

N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide (PubChem CID 167871628) has the molecular formula C13H11ClFN3OS and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide
PubChem CID167871628
Molecular FormulaC13H11ClFN3OS
Molecular Weight311.77 g/mol
Exact Mass311.03
IUPAC NameN-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide
SMILESO=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1csnn1
InChIInChI=1S/C13H11ClFN3OS/c14-9-3-1-2-8(4-9)13(15)5-10(6-13)16-12(19)11-7-20-18-17-11/h1-4,7,10H,5-6H2,(H,16,19)
InChIKeyRZKRPBMPVIFFOI-UHFFFAOYSA-N
XLogP2.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467648
(3-chlorophenyl)-(thiadiazol-4-yl)methanone
CID 105082748
1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide
CID 55984772
5-chloro-2-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214075
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide
CID 70296559
N-[1-(3-chlorophenyl)cyclopropyl]pyridine-2-carboxamide
CID 110444338
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide
CID 5003301
N-(2-hydroxycyclopentyl)thiadiazole-4-carboxamide
CID 131165697
N-[(4-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467680
2-N-(3-chlorophenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093921
N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
CID 79741093
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
CID 65216329

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide (CID 167871628) is N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide is O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1csnn1.
What is the InChIKey of N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide?
The InChIKey is RZKRPBMPVIFFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3OS/c14-9-3-1-2-8(4-9)13(15)5-10(6-13)16-12(19)11-7-20-18-17-11/h1-4,7,10H,5-6H2,(H,16,19).
What are the key properties of N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide?
N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 167871628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).