N-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine

C11H13FN2S — CID 19627887

IUPACN-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine
SMILESCC1(C)CN=C(Nc2cccc(F)c2)S1
InChIInChI=1S/C11H13FN2S/c1-11(2)7-13-10(15-11)14-9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyBLJIAEICHZJFHF-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.12
Rot. Bonds1

About N-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine

N-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine (PubChem CID 19627887) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine
PubChem CID19627887
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC NameN-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine
SMILESCC1(C)CN=C(Nc2cccc(F)c2)S1
InChIInChI=1S/C11H13FN2S/c1-11(2)7-13-10(15-11)14-9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyBLJIAEICHZJFHF-UHFFFAOYSA-N
XLogP3.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine?
The IUPAC name of N-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine (CID 19627887) is N-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine is CC1(C)CN=C(Nc2cccc(F)c2)S1.
What is the InChIKey of N-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine?
The InChIKey is BLJIAEICHZJFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2S/c1-11(2)7-13-10(15-11)14-9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of N-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine?
N-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine has a molecular weight of 224.30 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine is sourced from PubChem (CID 19627887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).