1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine

C7H9F2N3S — CID 130563645

IUPAC1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine
SMILESNC1(c2nnc(C(F)F)s2)CCC1
InChIInChI=1S/C7H9F2N3S/c8-4(9)5-11-12-6(13-5)7(10)2-1-3-7/h4H,1-3,10H2
InChIKeyVXKOWZQOUBJMGG-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.81
Rot. Bonds2

About 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine

1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine (PubChem CID 130563645) has the molecular formula C7H9F2N3S and a molecular weight of 205.23 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine
PubChem CID130563645
Molecular FormulaC7H9F2N3S
Molecular Weight205.23 g/mol
Exact Mass205.05
IUPAC Name1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine
SMILESNC1(c2nnc(C(F)F)s2)CCC1
InChIInChI=1S/C7H9F2N3S/c8-4(9)5-11-12-6(13-5)7(10)2-1-3-7/h4H,1-3,10H2
InChIKeyVXKOWZQOUBJMGG-UHFFFAOYSA-N
XLogP1.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-Difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
CID 139434807
3,3-Difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydron;chloride
CID 139434846
3,3-Difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine hydrochloride
CID 153433686
1-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine
CID 130563643
2-[5-(3,3-Difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 130815666
1-[5-(3,3-Difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 130892403
1-(5-Methyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
CID 130545567

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine (CID 130563645) is 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine is NC1(c2nnc(C(F)F)s2)CCC1.
What is the InChIKey of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine?
The InChIKey is VXKOWZQOUBJMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3S/c8-4(9)5-11-12-6(13-5)7(10)2-1-3-7/h4H,1-3,10H2.
What are the key properties of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine?
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine has a molecular weight of 205.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 130563645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).