5-[2-(3-fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine

C9H14FN3S2 — CID 76762033

IUPAC5-[2-(3-fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(SCCN2CCC(F)C2)s1
InChIInChI=1S/C9H14FN3S2/c10-7-1-2-13(6-7)3-4-14-8-5-12-9(11)15-8/h5,7H,1-4,6H2,(H2,11,12)
InChIKeyBRBQGVOEIAUWEA-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.86
Rot. Bonds4

About 5-[2-(3-fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine

5-[2-(3-fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 76762033) has the molecular formula C9H14FN3S2 and a molecular weight of 247.36 g/mol. Its IUPAC name is 5-[2-(3-fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(3-fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine
PubChem CID76762033
Molecular FormulaC9H14FN3S2
Molecular Weight247.36 g/mol
Exact Mass247.06
IUPAC Name5-[2-(3-fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(SCCN2CCC(F)C2)s1
InChIInChI=1S/C9H14FN3S2/c10-7-1-2-13(6-7)3-4-14-8-5-12-9(11)15-8/h5,7H,1-4,6H2,(H2,11,12)
InChIKeyBRBQGVOEIAUWEA-UHFFFAOYSA-N
XLogP1.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(3-fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine (CID 76762033) is 5-[2-(3-fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(3-fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(3-fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine is Nc1ncc(SCCN2CCC(F)C2)s1.
What is the InChIKey of 5-[2-(3-fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is BRBQGVOEIAUWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3S2/c10-7-1-2-13(6-7)3-4-14-8-5-12-9(11)15-8/h5,7H,1-4,6H2,(H2,11,12).
What are the key properties of 5-[2-(3-fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine?
5-[2-(3-fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 247.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 76762033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).