N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide

C13H14FN3OS — CID 1451547

IUPACN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C13H14FN3OS/c1-8(2)12(18)17(3)13-16-15-11(19-13)9-4-6-10(14)7-5-9/h4-8H,1-3H3
InChIKeyGCVKFVLTCKFZDY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.96
Rot. Bonds3

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

N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide (PubChem CID 1451547) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
PubChem CID1451547
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C13H14FN3OS/c1-8(2)12(18)17(3)13-16-15-11(19-13)9-4-6-10(14)7-5-9/h4-8H,1-3H3
InChIKeyGCVKFVLTCKFZDY-UHFFFAOYSA-N
XLogP2.96
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
CID 1444827
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbutanamide
CID 1451546
2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 942109
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methyl-2-(4-propan-2-ylphenoxy)propanamide
CID 108764558
5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 177128149
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide
CID 1451637
N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 1451553
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2,3,4-trifluoro-N-methylbenzamide
CID 108742002
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3,4-difluoro-N-methylbenzamide
CID 108742083
N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 1451556
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 108741998
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide
CID 108741966

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide (CID 1451547) is N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)c1nnc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide?
The InChIKey is GCVKFVLTCKFZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-8(2)12(18)17(3)13-16-15-11(19-13)9-4-6-10(14)7-5-9/h4-8H,1-3H3.
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide?
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide has a molecular weight of 279.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 1451547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).