4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine

C16H20FN3OS — CID 133370524

IUPAC4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(NCCCN3CCOCC3)n2)cc1
InChIInChI=1S/C16H20FN3OS/c17-14-4-2-13(3-5-14)15-12-22-16(19-15)18-6-1-7-20-8-10-21-11-9-20/h2-5,12H,1,6-11H2,(H,18,19)
InChIKeyTZZNWNMWIDGDDR-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.08
Rot. Bonds6

About 4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine

4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine (PubChem CID 133370524) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
PubChem CID133370524
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC Name4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(NCCCN3CCOCC3)n2)cc1
InChIInChI=1S/C16H20FN3OS/c17-14-4-2-13(3-5-14)15-12-22-16(19-15)18-6-1-7-20-8-10-21-11-9-20/h2-5,12H,1,6-11H2,(H,18,19)
InChIKeyTZZNWNMWIDGDDR-UHFFFAOYSA-N
XLogP3.08
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 133371519
4-methyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 43348242
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575536
4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine
CID 133449438
methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 113306717
2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione
CID 59761353
N-(5-fluoro-2-methoxyphenyl)-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
CID 160629065
6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one
CID 135634761
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371002
N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133366070
3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922527

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine (CID 133370524) is 4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine is Fc1ccc(-c2csc(NCCCN3CCOCC3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine?
The InChIKey is TZZNWNMWIDGDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS/c17-14-4-2-13(3-5-14)15-12-22-16(19-15)18-6-1-7-20-8-10-21-11-9-20/h2-5,12H,1,6-11H2,(H,18,19).
What are the key properties of 4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine has a molecular weight of 321.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133370524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).