N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine

C15H12FN3S — CID 130556959

IUPACN-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine
SMILESFc1cncc(-c2csc(NCc3ccccc3)n2)c1
InChIInChI=1S/C15H12FN3S/c16-13-6-12(8-17-9-13)14-10-20-15(19-14)18-7-11-4-2-1-3-5-11/h1-6,8-10H,7H2,(H,18,19)
InChIKeyORBOOAIVKWENDA-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.96
Rot. Bonds4

About N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine

N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 130556959) has the molecular formula C15H12FN3S and a molecular weight of 285.35 g/mol. Its IUPAC name is N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine
PubChem CID130556959
Molecular FormulaC15H12FN3S
Molecular Weight285.35 g/mol
Exact Mass285.07
IUPAC NameN-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine
SMILESFc1cncc(-c2csc(NCc3ccccc3)n2)c1
InChIInChI=1S/C15H12FN3S/c16-13-6-12(8-17-9-13)14-10-20-15(19-14)18-7-11-4-2-1-3-5-11/h1-6,8-10H,7H2,(H,18,19)
InChIKeyORBOOAIVKWENDA-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-3-pyridinyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 166341288
4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 4794352
(3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one
CID 7447723
N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 72720135
2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 114080610
N-benzyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine dichloride
CID 25000777
N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 99697962
4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine
CID 84684942
N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356285
2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
4-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-2-amine
CID 133407138
4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 892965

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine (CID 130556959) is N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine is Fc1cncc(-c2csc(NCc3ccccc3)n2)c1.
What is the InChIKey of N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is ORBOOAIVKWENDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3S/c16-13-6-12(8-17-9-13)14-10-20-15(19-14)18-7-11-4-2-1-3-5-11/h1-6,8-10H,7H2,(H,18,19).
What are the key properties of N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine?
N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 285.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130556959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).