1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine

C15H18FN3S — CID 133372230

IUPAC1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc(-c3ccc(F)cc3)cs2)C1
InChIInChI=1S/C15H18FN3S/c1-18(2)13-7-8-19(9-13)15-17-14(10-20-15)11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3
InChIKeyCNULBMOFWLYZCM-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.09
Rot. Bonds3

About 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 133372230) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID133372230
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc(-c3ccc(F)cc3)cs2)C1
InChIInChI=1S/C15H18FN3S/c1-18(2)13-7-8-19(9-13)15-17-14(10-20-15)11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3
InChIKeyCNULBMOFWLYZCM-UHFFFAOYSA-N
XLogP3.09
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-2-[(1S,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-1,3-thiazole
CID 124744189
3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 166238024
2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole
CID 133371636
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 133371229
(4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol
CID 133372528
4-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
CID 166227981
1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine
CID 83157211
(3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 70737802
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 133371960
(1S,5R)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72892934
4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole
CID 60528753
(3S,4S)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(hydroxymethyl)-3-propylpiperidin-4-ol
CID 155916420

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine (CID 133372230) is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2nc(-c3ccc(F)cc3)cs2)C1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is CNULBMOFWLYZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-18(2)13-7-8-19(9-13)15-17-14(10-20-15)11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 291.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 133372230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).