N-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-2-amine

C11H11FN2S — CID 82677404

IUPACN-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(NCc2ccc(F)cc2)s1
InChIInChI=1S/C11H11FN2S/c1-8-6-13-11(15-8)14-7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H,13,14)
InChIKeyXAYKKXAYQHUTDD-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.20
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-2-amine

N-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 82677404) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID82677404
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC NameN-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(NCc2ccc(F)cc2)s1
InChIInChI=1S/C11H11FN2S/c1-8-6-13-11(15-8)14-7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H,13,14)
InChIKeyXAYKKXAYQHUTDD-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-2-amine (CID 82677404) is N-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-2-amine is Cc1cnc(NCc2ccc(F)cc2)s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is XAYKKXAYQHUTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-8-6-13-11(15-8)14-7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-2-amine?
N-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 222.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82677404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).