5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide

C11H9ClFN3OS — CID 80625900

IUPAC5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C11H9ClFN3OS/c1-16(6-7-3-2-4-8(13)5-7)10(17)9-14-15-11(12)18-9/h2-5H,6H2,1H3
InChIKeyJSRJYCNHYBPCQC-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.60
Rot. Bonds3

About 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625900) has the molecular formula C11H9ClFN3OS and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625900
Molecular FormulaC11H9ClFN3OS
Molecular Weight285.73 g/mol
Exact Mass285.01
IUPAC Name5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C11H9ClFN3OS/c1-16(6-7-3-2-4-8(13)5-7)10(17)9-14-15-11(12)18-9/h2-5H,6H2,1H3
InChIKeyJSRJYCNHYBPCQC-UHFFFAOYSA-N
XLogP2.60
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624921
5-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625209
5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80619043
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 86977899
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 60857881
6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62235425
5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625917
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625427
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625597
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
CID 103891567

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 80625900) is 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide is CN(Cc1cccc(F)c1)C(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JSRJYCNHYBPCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3OS/c1-16(6-7-3-2-4-8(13)5-7)10(17)9-14-15-11(12)18-9/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).