1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-amine

C17H16FN3S — CID 71544461

IUPAC1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-amine
SMILESCCC(N)(c1ccncc1)c1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H16FN3S/c1-2-17(19,13-7-9-20-10-8-13)15-11-21-16(22-15)12-3-5-14(18)6-4-12/h3-11H,2,19H2,1H3
InChIKeyBQAVQDIQEKPAQY-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.96
Rot. Bonds4

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

1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-amine (PubChem CID 71544461) has the molecular formula C17H16FN3S and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-amine
PubChem CID71544461
Molecular FormulaC17H16FN3S
Molecular Weight313.40 g/mol
Exact Mass313.10
IUPAC Name1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-amine
SMILESCCC(N)(c1ccncc1)c1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H16FN3S/c1-2-17(19,13-7-9-20-10-8-13)15-11-21-16(22-15)12-3-5-14(18)6-4-12/h3-11H,2,19H2,1H3
InChIKeyBQAVQDIQEKPAQY-UHFFFAOYSA-N
XLogP3.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-Methyl-4-(3-pyridyl)thiazole
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4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
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4-(3,4-Difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
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2-Phenyl-4-pyridin-3-yl-1,3-thiazole
CID 2725998
2-(2-Propylpyridin-4-yl)-4-p-tolylthiazole hydrobromide
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4-(2-Fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2347880
4-(3,4-Difluorophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 2446134
4-[4-(4-Methylphenyl)-1,3-thiazol-2-YL]pyridine
CID 715106

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-amine (CID 71544461) is 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-amine is CCC(N)(c1ccncc1)c1cnc(-c2ccc(F)cc2)s1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-amine?
The InChIKey is BQAVQDIQEKPAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3S/c1-2-17(19,13-7-9-20-10-8-13)15-11-21-16(22-15)12-3-5-14(18)6-4-12/h3-11H,2,19H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-amine?
1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-amine has a molecular weight of 313.40 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 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 71544461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).