4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine

C15H12FN3S — CID 82106478

IUPAC4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(F)c2)c(Cc2ccncc2)s1
InChIInChI=1S/C15H12FN3S/c16-12-3-1-2-11(9-12)14-13(20-15(17)19-14)8-10-4-6-18-7-5-10/h1-7,9H,8H2,(H2,17,19)
InChIKeyFQLYECZFKYPSFR-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.52
Rot. Bonds3

About 4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine

4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 82106478) has the molecular formula C15H12FN3S and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID82106478
Molecular FormulaC15H12FN3S
Molecular Weight285.35 g/mol
Exact Mass285.07
IUPAC Name4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(F)c2)c(Cc2ccncc2)s1
InChIInChI=1S/C15H12FN3S/c16-12-3-1-2-11(9-12)14-13(20-15(17)19-14)8-10-4-6-18-7-5-10/h1-7,9H,8H2,(H2,17,19)
InChIKeyFQLYECZFKYPSFR-UHFFFAOYSA-N
XLogP3.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.52
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-yl]methanamine
CID 82106482
5-benzyl-4-phenyl-1,3-thiazol-2-amine
CID 57476891
5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 82106454
2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 83535265
[4-(4-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
CID 82106468
CID 172837950
CID 172837950
4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine
CID 88924616
2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
CID 83107881
5-[(3-fluorophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine
CID 135672337
3,4-bis(3-fluorophenyl)pyridine
CID 46313677
[5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106460
2,3-bis(3-fluorophenyl)quinoxaline
CID 5127743

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine (CID 82106478) is 4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine is Nc1nc(-c2cccc(F)c2)c(Cc2ccncc2)s1.
What is the InChIKey of 4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is FQLYECZFKYPSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3S/c16-12-3-1-2-11(9-12)14-13(20-15(17)19-14)8-10-4-6-18-7-5-10/h1-7,9H,8H2,(H2,17,19).
What are the key properties of 4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 285.35 g/mol, XLogP of 3.52, 3 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-amine is sourced from PubChem (CID 82106478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).