N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C7H11F2N3S — CID 79838861

IUPACN-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCC(F)F)n1
InChIInChI=1S/C7H11F2N3S/c1-4(2)6-11-7(13-12-6)10-3-5(8)9/h4-5H,3H2,1-2H3,(H,10,11,12)
InChIKeyPSQMTUXYHRKHDY-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.34
Rot. Bonds4

About N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 79838861) has the molecular formula C7H11F2N3S and a molecular weight of 207.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID79838861
Molecular FormulaC7H11F2N3S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC NameN-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCC(F)F)n1
InChIInChI=1S/C7H11F2N3S/c1-4(2)6-11-7(13-12-6)10-3-5(8)9/h4-5H,3H2,1-2H3,(H,10,11,12)
InChIKeyPSQMTUXYHRKHDY-UHFFFAOYSA-N
XLogP2.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 79838861) is N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCC(F)F)n1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is PSQMTUXYHRKHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3S/c1-4(2)6-11-7(13-12-6)10-3-5(8)9/h4-5H,3H2,1-2H3,(H,10,11,12).
What are the key properties of N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 207.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79838861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).