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

C21H28FN3OS — CID 20628038

IUPAC4-[1-(2-fluorophenyl)cyclopentyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
SMILESFc1ccccc1C1(c2csc(NCCCN3CCOCC3)n2)CCCC1
InChIInChI=1S/C21H28FN3OS/c22-18-7-2-1-6-17(18)21(8-3-4-9-21)19-16-27-20(24-19)23-10-5-11-25-12-14-26-15-13-25/h1-2,6-7,16H,3-5,8-15H2,(H,23,24)
InChIKeyHZKQYHVBJSETLB-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.28
Rot. Bonds7

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

4-[1-(2-fluorophenyl)cyclopentyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine (PubChem CID 20628038) has the molecular formula C21H28FN3OS and a molecular weight of 389.54 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)cyclopentyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)cyclopentyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
PubChem CID20628038
Molecular FormulaC21H28FN3OS
Molecular Weight389.54 g/mol
Exact Mass389.19
IUPAC Name4-[1-(2-fluorophenyl)cyclopentyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
SMILESFc1ccccc1C1(c2csc(NCCCN3CCOCC3)n2)CCCC1
InChIInChI=1S/C21H28FN3OS/c22-18-7-2-1-6-17(18)21(8-3-4-9-21)19-16-27-20(24-19)23-10-5-11-25-12-14-26-15-13-25/h1-2,6-7,16H,3-5,8-15H2,(H,23,24)
InChIKeyHZKQYHVBJSETLB-UHFFFAOYSA-N
XLogP4.28
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.28
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-(4-Fluorophenyl)-1,3-thiazol-2-yl]morpholine
CID 683402
4-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-piperazine-1-carbothioic acid (3-ethoxy-propyl)-amide
CID 3223618
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 3223616
4-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-piperazine-1-carbothioic acid (3-methoxy-propyl)-amide
CID 3223617
N-(2-methoxyethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 3223632
Piperazine, 1-(4-(2,2,2-trifluoro-1-phenylethyl)-2-thiazolyl)-
CID 3056217
4-Morpholinepropanamine, N-(4-phenyl-2-thiazolyl)-, dihydrochloride
CID 3088631
4-Morpholineethanamine, N-(4-phenyl-2-thiazolyl)-, dihydrochloride
CID 3088646
N-(3-morpholin-4-ylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 3223638
Piperazine, 1-(4-((4-fluorophenyl)methyl)-2-thiazolyl)-, monohydrochloride
CID 3056224
4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylmorpholine
CID 2973604
4-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
CID 4883716

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)cyclopentyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(2-fluorophenyl)cyclopentyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine (CID 20628038) is 4-[1-(2-fluorophenyl)cyclopentyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(2-fluorophenyl)cyclopentyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(2-fluorophenyl)cyclopentyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine is Fc1ccccc1C1(c2csc(NCCCN3CCOCC3)n2)CCCC1.
What is the InChIKey of 4-[1-(2-fluorophenyl)cyclopentyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine?
The InChIKey is HZKQYHVBJSETLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3OS/c22-18-7-2-1-6-17(18)21(8-3-4-9-21)19-16-27-20(24-19)23-10-5-11-25-12-14-26-15-13-25/h1-2,6-7,16H,3-5,8-15H2,(H,23,24).
What are the key properties of 4-[1-(2-fluorophenyl)cyclopentyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine?
4-[1-(2-fluorophenyl)cyclopentyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine has a molecular weight of 389.54 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)cyclopentyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 20628038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).