N-(2-fluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine

C6H10FN3S — CID 154760952

IUPACN-(2-fluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C)CCF)n1
InChIInChI=1S/C6H10FN3S/c1-5-8-6(11-9-5)10(2)4-3-7/h3-4H2,1-2H3
InChIKeyNHDRECUQVMWRPZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.25
Rot. Bonds3

About N-(2-fluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine

N-(2-fluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 154760952) has the molecular formula C6H10FN3S and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID154760952
Molecular FormulaC6H10FN3S
Molecular Weight175.23 g/mol
Exact Mass175.06
IUPAC NameN-(2-fluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C)CCF)n1
InChIInChI=1S/C6H10FN3S/c1-5-8-6(11-9-5)10(2)4-3-7/h3-4H2,1-2H3
InChIKeyNHDRECUQVMWRPZ-UHFFFAOYSA-N
XLogP1.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-fluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine (CID 154760952) is N-(2-fluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-fluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine is Cc1nsc(N(C)CCF)n1.
What is the InChIKey of N-(2-fluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is NHDRECUQVMWRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3S/c1-5-8-6(11-9-5)10(2)4-3-7/h3-4H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
N-(2-fluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 175.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 154760952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).