[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine

C10H8ClFN2S — CID 63082297

IUPAC[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2ccc(Cl)cc2F)s1
InChIInChI=1S/C10H8ClFN2S/c11-6-1-2-8(9(12)3-6)10-14-5-7(4-13)15-10/h1-3,5H,4,13H2
InChIKeyBOCMEJYEJNEJEG-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.06
Rot. Bonds2

About [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine

[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 63082297) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine
PubChem CID63082297
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC Name[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2ccc(Cl)cc2F)s1
InChIInChI=1S/C10H8ClFN2S/c11-6-1-2-8(9(12)3-6)10-14-5-7(4-13)15-10/h1-3,5H,4,13H2
InChIKeyBOCMEJYEJNEJEG-UHFFFAOYSA-N
XLogP3.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine (CID 63082297) is [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(-c2ccc(Cl)cc2F)s1.
What is the InChIKey of [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is BOCMEJYEJNEJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c11-6-1-2-8(9(12)3-6)10-14-5-7(4-13)15-10/h1-3,5H,4,13H2.
What are the key properties of [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine?
[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 242.71 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63082297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).