[4-(3-chlorophenyl)-5-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]methanamine

C15H11ClFN3S — CID 15603340

IUPAC[4-(3-chlorophenyl)-5-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2cccc(Cl)c2)c(-c2ccnc(F)c2)s1
InChIInChI=1S/C15H11ClFN3S/c16-11-3-1-2-9(6-11)14-15(21-13(8-18)20-14)10-4-5-19-12(17)7-10/h1-7H,8,18H2
InChIKeyGCMODLYNLOBZAZ-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.12
Rot. Bonds3

About [4-(3-chlorophenyl)-5-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]methanamine

[4-(3-chlorophenyl)-5-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 15603340) has the molecular formula C15H11ClFN3S and a molecular weight of 319.79 g/mol. Its IUPAC name is [4-(3-chlorophenyl)-5-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-chlorophenyl)-5-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]methanamine
PubChem CID15603340
Molecular FormulaC15H11ClFN3S
Molecular Weight319.79 g/mol
Exact Mass319.03
IUPAC Name[4-(3-chlorophenyl)-5-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2cccc(Cl)c2)c(-c2ccnc(F)c2)s1
InChIInChI=1S/C15H11ClFN3S/c16-11-3-1-2-9(6-11)14-15(21-13(8-18)20-14)10-4-5-19-12(17)7-10/h1-7H,8,18H2
InChIKeyGCMODLYNLOBZAZ-UHFFFAOYSA-N
XLogP4.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)-5-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(3-chlorophenyl)-5-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]methanamine (CID 15603340) is [4-(3-chlorophenyl)-5-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(3-chlorophenyl)-5-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(3-chlorophenyl)-5-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]methanamine is NCc1nc(-c2cccc(Cl)c2)c(-c2ccnc(F)c2)s1.
What is the InChIKey of [4-(3-chlorophenyl)-5-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is GCMODLYNLOBZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3S/c16-11-3-1-2-9(6-11)14-15(21-13(8-18)20-14)10-4-5-19-12(17)7-10/h1-7H,8,18H2.
What are the key properties of [4-(3-chlorophenyl)-5-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]methanamine?
[4-(3-chlorophenyl)-5-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 319.79 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)-5-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 15603340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).