5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine

C8H11F2N3S — CID 130171983

IUPAC5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CC1CNc1nnc(C(F)F)s1
InChIInChI=1S/C8H11F2N3S/c1-4-2-5(4)3-11-8-13-12-7(14-8)6(9)10/h4-6H,2-3H2,1H3,(H,11,13)
InChIKeyCXJJVAUIWHGTKS-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.54
Rot. Bonds4

About 5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine

5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 130171983) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID130171983
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CC1CNc1nnc(C(F)F)s1
InChIInChI=1S/C8H11F2N3S/c1-4-2-5(4)3-11-8-13-12-7(14-8)6(9)10/h4-6H,2-3H2,1H3,(H,11,13)
InChIKeyCXJJVAUIWHGTKS-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine (CID 130171983) is 5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine is CC1CC1CNc1nnc(C(F)F)s1.
What is the InChIKey of 5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CXJJVAUIWHGTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c1-4-2-5(4)3-11-8-13-12-7(14-8)6(9)10/h4-6H,2-3H2,1H3,(H,11,13).
What are the key properties of 5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine?
5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 219.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130171983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).