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

C10H10F2N6S — CID 166278807

IUPAC4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(C2CN(c3nnc(C(F)F)s3)C2)n1
InChIInChI=1S/C10H10F2N6S/c11-7(12)8-16-17-10(19-8)18-3-5(4-18)6-1-2-14-9(13)15-6/h1-2,5,7H,3-4H2,(H2,13,14,15)
InChIKeyJLNXPFXKPPPULC-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.45
Rot. Bonds3

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

4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]pyrimidin-2-amine (PubChem CID 166278807) has the molecular formula C10H10F2N6S and a molecular weight of 284.30 g/mol. Its IUPAC name is 4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]pyrimidin-2-amine
PubChem CID166278807
Molecular FormulaC10H10F2N6S
Molecular Weight284.30 g/mol
Exact Mass284.07
IUPAC Name4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(C2CN(c3nnc(C(F)F)s3)C2)n1
InChIInChI=1S/C10H10F2N6S/c11-7(12)8-16-17-10(19-8)18-3-5(4-18)6-1-2-14-9(13)15-6/h1-2,5,7H,3-4H2,(H2,13,14,15)
InChIKeyJLNXPFXKPPPULC-UHFFFAOYSA-N
XLogP1.45
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]pyrimidin-2-amine (CID 166278807) is 4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]pyrimidin-2-amine is Nc1nccc(C2CN(c3nnc(C(F)F)s3)C2)n1.
What is the InChIKey of 4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]pyrimidin-2-amine?
The InChIKey is JLNXPFXKPPPULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N6S/c11-7(12)8-16-17-10(19-8)18-3-5(4-18)6-1-2-14-9(13)15-6/h1-2,5,7H,3-4H2,(H2,13,14,15).
What are the key properties of 4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]pyrimidin-2-amine?
4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]pyrimidin-2-amine has a molecular weight of 284.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 166278807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).