N-(azetidin-3-yl)-5-fluoro-N-methyl-1,3-thiazol-2-amine

C7H10FN3S — CID 66863926

IUPACN-(azetidin-3-yl)-5-fluoro-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1ncc(F)s1)C1CNC1
InChIInChI=1S/C7H10FN3S/c1-11(5-2-9-3-5)7-10-4-6(8)12-7/h4-5,9H,2-3H2,1H3
InChIKeyFEPKPYGIMBXCGK-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.69
Rot. Bonds2

About N-(azetidin-3-yl)-5-fluoro-N-methyl-1,3-thiazol-2-amine

N-(azetidin-3-yl)-5-fluoro-N-methyl-1,3-thiazol-2-amine (PubChem CID 66863926) has the molecular formula C7H10FN3S and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-fluoro-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-fluoro-N-methyl-1,3-thiazol-2-amine
PubChem CID66863926
Molecular FormulaC7H10FN3S
Molecular Weight187.24 g/mol
Exact Mass187.06
IUPAC NameN-(azetidin-3-yl)-5-fluoro-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1ncc(F)s1)C1CNC1
InChIInChI=1S/C7H10FN3S/c1-11(5-2-9-3-5)7-10-4-6(8)12-7/h4-5,9H,2-3H2,1H3
InChIKeyFEPKPYGIMBXCGK-UHFFFAOYSA-N
XLogP0.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-fluoro-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(azetidin-3-yl)-5-fluoro-N-methyl-1,3-thiazol-2-amine (CID 66863926) is N-(azetidin-3-yl)-5-fluoro-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-5-fluoro-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-5-fluoro-N-methyl-1,3-thiazol-2-amine is CN(c1ncc(F)s1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-5-fluoro-N-methyl-1,3-thiazol-2-amine?
The InChIKey is FEPKPYGIMBXCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3S/c1-11(5-2-9-3-5)7-10-4-6(8)12-7/h4-5,9H,2-3H2,1H3.
What are the key properties of N-(azetidin-3-yl)-5-fluoro-N-methyl-1,3-thiazol-2-amine?
N-(azetidin-3-yl)-5-fluoro-N-methyl-1,3-thiazol-2-amine has a molecular weight of 187.24 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-fluoro-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 66863926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).