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

C12H13F2N3OS — CID 103933926

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCc2ccccc2OC(F)F)s1
InChIInChI=1S/C12H13F2N3OS/c1-2-10-16-17-12(19-10)15-7-8-5-3-4-6-9(8)18-11(13)14/h3-6,11H,2,7H2,1H3,(H,15,17)
InChIKeyICXQMRNXYGFKTC-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.31
Rot. Bonds6

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

N-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 103933926) has the molecular formula C12H13F2N3OS and a molecular weight of 285.32 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID103933926
Molecular FormulaC12H13F2N3OS
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCc2ccccc2OC(F)F)s1
InChIInChI=1S/C12H13F2N3OS/c1-2-10-16-17-12(19-10)15-7-8-5-3-4-6-9(8)18-11(13)14/h3-6,11H,2,7H2,1H3,(H,15,17)
InChIKeyICXQMRNXYGFKTC-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103933943
5-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103933897
5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 24604318
N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133370013
5-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934002
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline
CID 60924885
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 103865673
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 81289888
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)butanamide
CID 17013028

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine (CID 103933926) is N-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NCc2ccccc2OC(F)F)s1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ICXQMRNXYGFKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3OS/c1-2-10-16-17-12(19-10)15-7-8-5-3-4-6-9(8)18-11(13)14/h3-6,11H,2,7H2,1H3,(H,15,17).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 285.32 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103933926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).