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

C11H10ClFN2S — CID 81154688

IUPAC1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
SMILESCNC(c1ccc(F)c(Cl)c1)c1nccs1
InChIInChI=1S/C11H10ClFN2S/c1-14-10(11-15-4-5-16-11)7-2-3-9(13)8(12)6-7/h2-6,10,14H,1H3
InChIKeyDAKQZYGOXJFSCU-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.24
Rot. Bonds3

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

1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine (PubChem CID 81154688) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
PubChem CID81154688
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
SMILESCNC(c1ccc(F)c(Cl)c1)c1nccs1
InChIInChI=1S/C11H10ClFN2S/c1-14-10(11-15-4-5-16-11)7-2-3-9(13)8(12)6-7/h2-6,10,14H,1H3
InChIKeyDAKQZYGOXJFSCU-UHFFFAOYSA-N
XLogP3.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine (CID 81154688) is 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine is CNC(c1ccc(F)c(Cl)c1)c1nccs1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine?
The InChIKey is DAKQZYGOXJFSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c1-14-10(11-15-4-5-16-11)7-2-3-9(13)8(12)6-7/h2-6,10,14H,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine?
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine has a molecular weight of 256.73 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 81154688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).