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

C11H9F4N3O2S — CID 103933828

IUPACN-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)Oc1ccc(CNc2nncs2)c(OC(F)F)c1
InChIInChI=1S/C11H9F4N3O2S/c12-9(13)19-7-2-1-6(8(3-7)20-10(14)15)4-16-11-18-17-5-21-11/h1-3,5,9-10H,4H2,(H,16,18)
InChIKeyXKVXCGVDPXQNOZ-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.35
Rot. Bonds7

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

N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 103933828) has the molecular formula C11H9F4N3O2S and a molecular weight of 323.27 g/mol. Its IUPAC name is N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID103933828
Molecular FormulaC11H9F4N3O2S
Molecular Weight323.27 g/mol
Exact Mass323.04
IUPAC NameN-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)Oc1ccc(CNc2nncs2)c(OC(F)F)c1
InChIInChI=1S/C11H9F4N3O2S/c12-9(13)19-7-2-1-6(8(3-7)20-10(14)15)4-16-11-18-17-5-21-11/h1-3,5,9-10H,4H2,(H,16,18)
InChIKeyXKVXCGVDPXQNOZ-UHFFFAOYSA-N
XLogP3.35
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 103933846
1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol
CID 63932490
2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide
CID 43402355
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001
methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate
CID 43503462
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]but-3-yn-2-amine
CID 114414934
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-2-methylsulfanylethanamine
CID 60658322
(2S)-2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]butan-1-ol
CID 104980379
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine
CID 43400195
1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724428
2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline
CID 86947132
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 86782852

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine (CID 103933828) is N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine is FC(F)Oc1ccc(CNc2nncs2)c(OC(F)F)c1.
What is the InChIKey of N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XKVXCGVDPXQNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3O2S/c12-9(13)19-7-2-1-6(8(3-7)20-10(14)15)4-16-11-18-17-5-21-11/h1-3,5,9-10H,4H2,(H,16,18).
What are the key properties of N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine?
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 323.27 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103933828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).