[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine

C7H10F2N4S — CID 130563628

IUPAC[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine
SMILESNCC1CN(c2nnc(C(F)F)s2)C1
InChIInChI=1S/C7H10F2N4S/c8-5(9)6-11-12-7(14-6)13-2-4(1-10)3-13/h4-5H,1-3,10H2
InChIKeyVZCORAXLYFTIPR-UHFFFAOYSA-N
MW220.25 g/mol
LogP0.87
Rot. Bonds3

About [1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine

[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine (PubChem CID 130563628) has the molecular formula C7H10F2N4S and a molecular weight of 220.25 g/mol. Its IUPAC name is [1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine
PubChem CID130563628
Molecular FormulaC7H10F2N4S
Molecular Weight220.25 g/mol
Exact Mass220.06
IUPAC Name[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine
SMILESNCC1CN(c2nnc(C(F)F)s2)C1
InChIInChI=1S/C7H10F2N4S/c8-5(9)6-11-12-7(14-6)13-2-4(1-10)3-13/h4-5H,1-3,10H2
InChIKeyVZCORAXLYFTIPR-UHFFFAOYSA-N
XLogP0.87
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 20567422
N,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 106918204
N'-(2-methylpropyl)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 113586941
3-[Ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-methylpropanimidamide
CID 113586963
N',2,2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 113587023
N'-methyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 114449479
N'-ethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 114449486
N'-propyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 114449487
N'-ethyl-2-methyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 114449510
N',2-dimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 114449511
3-[Methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanethioamide
CID 114449538
3-[Ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-methylpropanethioamide
CID 114449539

Frequently Asked Questions

What is the IUPAC name of [1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine?
The IUPAC name of [1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine (CID 130563628) is [1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine.
What is the SMILES notation for [1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine?
The canonical SMILES for [1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine is NCC1CN(c2nnc(C(F)F)s2)C1.
What is the InChIKey of [1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine?
The InChIKey is VZCORAXLYFTIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4S/c8-5(9)6-11-12-7(14-6)13-2-4(1-10)3-13/h4-5H,1-3,10H2.
What are the key properties of [1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine?
[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine has a molecular weight of 220.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine is sourced from PubChem (CID 130563628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).