2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole

C14H15FN2S2 — CID 114456938

IUPAC2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
SMILESFc1ccc(SCc2nc(C3CCCN3)cs2)cc1
InChIInChI=1S/C14H15FN2S2/c15-10-3-5-11(6-4-10)18-9-14-17-13(8-19-14)12-2-1-7-16-12/h3-6,8,12,16H,1-2,7,9H2
InChIKeyMORVPXJVUOOWMY-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.00
Rot. Bonds4

About 2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole

2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole (PubChem CID 114456938) has the molecular formula C14H15FN2S2 and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
PubChem CID114456938
Molecular FormulaC14H15FN2S2
Molecular Weight294.42 g/mol
Exact Mass294.07
IUPAC Name2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
SMILESFc1ccc(SCc2nc(C3CCCN3)cs2)cc1
InChIInChI=1S/C14H15FN2S2/c15-10-3-5-11(6-4-10)18-9-14-17-13(8-19-14)12-2-1-7-16-12/h3-6,8,12,16H,1-2,7,9H2
InChIKeyMORVPXJVUOOWMY-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromophenyl)sulfanylmethyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928833
2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456842
2-(propylsulfanylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853401
4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 104853425
2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
CID 130501476
[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
CID 104853412
2-[(3-fluorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928674
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446
2-(cyclopropylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853410
2-(butan-2-ylsulfanylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928731
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole?
The IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole (CID 114456938) is 2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole?
The canonical SMILES for 2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole is Fc1ccc(SCc2nc(C3CCCN3)cs2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole?
The InChIKey is MORVPXJVUOOWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S2/c15-10-3-5-11(6-4-10)18-9-14-17-13(8-19-14)12-2-1-7-16-12/h3-6,8,12,16H,1-2,7,9H2.
What are the key properties of 2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole?
2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole has a molecular weight of 294.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole is sourced from PubChem (CID 114456938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).