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

C16H14FN3S — CID 82106482

IUPAC[4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2cccc(F)c2)c(Cc2ccncc2)s1
InChIInChI=1S/C16H14FN3S/c17-13-3-1-2-12(9-13)16-14(21-15(10-18)20-16)8-11-4-6-19-7-5-11/h1-7,9H,8,10,18H2
InChIKeyLLVGQGAJDXJAEN-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.39
Rot. Bonds4

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

[4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 82106482) has the molecular formula C16H14FN3S and a molecular weight of 299.37 g/mol. Its IUPAC name is [4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID82106482
Molecular FormulaC16H14FN3S
Molecular Weight299.37 g/mol
Exact Mass299.09
IUPAC Name[4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2cccc(F)c2)c(Cc2ccncc2)s1
InChIInChI=1S/C16H14FN3S/c17-13-3-1-2-12(9-13)16-14(21-15(10-18)20-16)8-11-4-6-19-7-5-11/h1-7,9H,8,10,18H2
InChIKeyLLVGQGAJDXJAEN-UHFFFAOYSA-N
XLogP3.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 82106478
[4-(4-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
CID 82106468
[5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106424
[5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106460
[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106665
[5-(3-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methanamine
CID 82106836
2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 79782596
[4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 86680598
[5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106600
[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280947
CID 172837950
CID 172837950
[2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride
CID 171365586

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine (CID 82106482) is [4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine is NCc1nc(-c2cccc(F)c2)c(Cc2ccncc2)s1.
What is the InChIKey of [4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is LLVGQGAJDXJAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3S/c17-13-3-1-2-12(9-13)16-14(21-15(10-18)20-16)8-11-4-6-19-7-5-11/h1-7,9H,8,10,18H2.
What are the key properties of [4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine?
[4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 299.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 82106482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).