2-(3-fluoro-1,2-dimethyl-2H-pyridin-5-yl)-N-methyl-2,3-dihydro-1,3-thiazol-4-amine

C11H16FN3S — CID 146489856

IUPAC2-(3-fluoro-1,2-dimethyl-2H-pyridin-5-yl)-N-methyl-2,3-dihydro-1,3-thiazol-4-amine
SMILESCNC1=CSC(C2=CN(C)C(C)C(F)=C2)N1
InChIInChI=1S/C11H16FN3S/c1-7-9(12)4-8(5-15(7)3)11-14-10(13-2)6-16-11/h4-7,11,13-14H,1-3H3
InChIKeyKQTZXMOZIFLELL-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds2

About 2-(3-fluoro-1,2-dimethyl-2H-pyridin-5-yl)-N-methyl-2,3-dihydro-1,3-thiazol-4-amine

2-(3-fluoro-1,2-dimethyl-2H-pyridin-5-yl)-N-methyl-2,3-dihydro-1,3-thiazol-4-amine (PubChem CID 146489856) has the molecular formula C11H16FN3S and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(3-fluoro-1,2-dimethyl-2H-pyridin-5-yl)-N-methyl-2,3-dihydro-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(3-fluoro-1,2-dimethyl-2H-pyridin-5-yl)-N-methyl-2,3-dihydro-1,3-thiazol-4-amine
PubChem CID146489856
Molecular FormulaC11H16FN3S
Molecular Weight241.33 g/mol
Exact Mass241.10
IUPAC Name2-(3-fluoro-1,2-dimethyl-2H-pyridin-5-yl)-N-methyl-2,3-dihydro-1,3-thiazol-4-amine
SMILESCNC1=CSC(C2=CN(C)C(C)C(F)=C2)N1
InChIInChI=1S/C11H16FN3S/c1-7-9(12)4-8(5-15(7)3)11-14-10(13-2)6-16-11/h4-7,11,13-14H,1-3H3
InChIKeyKQTZXMOZIFLELL-UHFFFAOYSA-N
XLogP1.74
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1,2-dimethyl-2H-pyridin-5-yl)-N-methyl-2,3-dihydro-1,3-thiazol-4-amine?
The IUPAC name of 2-(3-fluoro-1,2-dimethyl-2H-pyridin-5-yl)-N-methyl-2,3-dihydro-1,3-thiazol-4-amine (CID 146489856) is 2-(3-fluoro-1,2-dimethyl-2H-pyridin-5-yl)-N-methyl-2,3-dihydro-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(3-fluoro-1,2-dimethyl-2H-pyridin-5-yl)-N-methyl-2,3-dihydro-1,3-thiazol-4-amine?
The canonical SMILES for 2-(3-fluoro-1,2-dimethyl-2H-pyridin-5-yl)-N-methyl-2,3-dihydro-1,3-thiazol-4-amine is CNC1=CSC(C2=CN(C)C(C)C(F)=C2)N1.
What is the InChIKey of 2-(3-fluoro-1,2-dimethyl-2H-pyridin-5-yl)-N-methyl-2,3-dihydro-1,3-thiazol-4-amine?
The InChIKey is KQTZXMOZIFLELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3S/c1-7-9(12)4-8(5-15(7)3)11-14-10(13-2)6-16-11/h4-7,11,13-14H,1-3H3.
What are the key properties of 2-(3-fluoro-1,2-dimethyl-2H-pyridin-5-yl)-N-methyl-2,3-dihydro-1,3-thiazol-4-amine?
2-(3-fluoro-1,2-dimethyl-2H-pyridin-5-yl)-N-methyl-2,3-dihydro-1,3-thiazol-4-amine has a molecular weight of 241.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1,2-dimethyl-2H-pyridin-5-yl)-N-methyl-2,3-dihydro-1,3-thiazol-4-amine is sourced from PubChem (CID 146489856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).