(4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine

C11H11FN2S — CID 43558991

IUPAC(4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1cnc(C(N)c2ccc(F)cc2)s1
InChIInChI=1S/C11H11FN2S/c1-7-6-14-11(15-7)10(13)8-2-4-9(12)5-3-8/h2-6,10H,13H2,1H3
InChIKeySTTVVOXDWWXFSR-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.64
Rot. Bonds2

About (4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine

(4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 43558991) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is (4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID43558991
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name(4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1cnc(C(N)c2ccc(F)cc2)s1
InChIInChI=1S/C11H11FN2S/c1-7-6-14-11(15-7)10(13)8-2-4-9(12)5-3-8/h2-6,10H,13H2,1H3
InChIKeySTTVVOXDWWXFSR-UHFFFAOYSA-N
XLogP2.64
TPSA38.91 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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine (CID 43558991) is (4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine is Cc1cnc(C(N)c2ccc(F)cc2)s1.
What is the InChIKey of (4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is STTVVOXDWWXFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-7-6-14-11(15-7)10(13)8-2-4-9(12)5-3-8/h2-6,10H,13H2,1H3.
What are the key properties of (4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
(4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 222.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 43558991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).