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

C11H11FN2S — CID 956411

IUPACN-(4-fluorophenyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccc(F)cc2)sc1C
InChIInChI=1S/C11H11FN2S/c1-7-8(2)15-11(13-7)14-10-5-3-9(12)4-6-10/h3-6H,1-2H3,(H,13,14)
InChIKeyBENMNUDQVXKCFT-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.64
Rot. Bonds2

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

N-(4-fluorophenyl)-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 956411) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID956411
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC NameN-(4-fluorophenyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccc(F)cc2)sc1C
InChIInChI=1S/C11H11FN2S/c1-7-8(2)15-11(13-7)14-10-5-3-9(12)4-6-10/h3-6H,1-2H3,(H,13,14)
InChIKeyBENMNUDQVXKCFT-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-4,5-dimethyl-1,3-thiazol-2-amine (CID 956411) is N-(4-fluorophenyl)-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(Nc2ccc(F)cc2)sc1C.
What is the InChIKey of N-(4-fluorophenyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is BENMNUDQVXKCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-7-8(2)15-11(13-7)14-10-5-3-9(12)4-6-10/h3-6H,1-2H3,(H,13,14).
What are the key properties of N-(4-fluorophenyl)-4,5-dimethyl-1,3-thiazol-2-amine?
N-(4-fluorophenyl)-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 222.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 956411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).