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

C6H10FN3S — CID 131160593

IUPACN-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine
SMILESCC(F)CCNc1ncns1
InChIInChI=1S/C6H10FN3S/c1-5(7)2-3-8-6-9-4-10-11-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyMAXRZAMBSCXTOH-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.70
Rot. Bonds4

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

N-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine (PubChem CID 131160593) has the molecular formula C6H10FN3S and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine
PubChem CID131160593
Molecular FormulaC6H10FN3S
Molecular Weight175.23 g/mol
Exact Mass175.06
IUPAC NameN-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine
SMILESCC(F)CCNc1ncns1
InChIInChI=1S/C6H10FN3S/c1-5(7)2-3-8-6-9-4-10-11-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyMAXRZAMBSCXTOH-UHFFFAOYSA-N
XLogP1.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine (CID 131160593) is N-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine is CC(F)CCNc1ncns1.
What is the InChIKey of N-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MAXRZAMBSCXTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3S/c1-5(7)2-3-8-6-9-4-10-11-6/h4-5H,2-3H2,1H3,(H,8,9,10).
What are the key properties of N-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine?
N-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 175.23 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 131160593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).