N-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine

C11H11F2N3S — CID 107648217

IUPACN-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)c2cc(F)cc(F)c2)s1
InChIInChI=1S/C11H11F2N3S/c1-6(14-11-16-15-7(2)17-11)8-3-9(12)5-10(13)4-8/h3-6H,1-2H3,(H,14,16)
InChIKeySAGJJOQCNHXQOH-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.30
Rot. Bonds3

About N-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine

N-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 107648217) has the molecular formula C11H11F2N3S and a molecular weight of 255.29 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID107648217
Molecular FormulaC11H11F2N3S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC NameN-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)c2cc(F)cc(F)c2)s1
InChIInChI=1S/C11H11F2N3S/c1-6(14-11-16-15-7(2)17-11)8-3-9(12)5-10(13)4-8/h3-6H,1-2H3,(H,14,16)
InChIKeySAGJJOQCNHXQOH-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982704
5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 113240474
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648355
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 103688141
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982753
N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982748
5-bromo-N-[1-(4-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624917
[4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea
CID 107648295
N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide
CID 65209214
N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448109
N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 133412750
5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648389

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 107648217) is N-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC(C)c2cc(F)cc(F)c2)s1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SAGJJOQCNHXQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3S/c1-6(14-11-16-15-7(2)17-11)8-3-9(12)5-10(13)4-8/h3-6H,1-2H3,(H,14,16).
What are the key properties of N-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 255.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).