5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole

C10H15FN2S2 — CID 58328527

IUPAC5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(SCCN2CC[C@H](F)C2)s1
InChIInChI=1S/C10H15FN2S2/c1-8-12-6-10(15-8)14-5-4-13-3-2-9(11)7-13/h6,9H,2-5,7H2,1H3/t9-/m0/s1
InChIKeyCFMKXNTXSLITKG-VIFPVBQESA-N
MW246.38 g/mol
LogP2.59
Rot. Bonds4

About 5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole

5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole (PubChem CID 58328527) has the molecular formula C10H15FN2S2 and a molecular weight of 246.38 g/mol. Its IUPAC name is 5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole
PubChem CID58328527
Molecular FormulaC10H15FN2S2
Molecular Weight246.38 g/mol
Exact Mass246.07
IUPAC Name5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(SCCN2CC[C@H](F)C2)s1
InChIInChI=1S/C10H15FN2S2/c1-8-12-6-10(15-8)14-5-4-13-3-2-9(11)7-13/h6,9H,2-5,7H2,1H3/t9-/m0/s1
InChIKeyCFMKXNTXSLITKG-VIFPVBQESA-N
XLogP2.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole
CID 10313490
5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole
CID 58328457
5-[2-(4,4-Difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole
CID 58328458
5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole
CID 58328478
5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazol-2-amine
CID 58328509
5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazol-2-amine
CID 58328528
5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole
CID 70806725
5-[2-(3-Fluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine
CID 76762033
2-Fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium
CID 123808042
5-(3-Fluoropyrrolidin-1-yl)sulfanyl-2-methyl-1,3-thiazole
CID 153649963
(E)-N-Butyl-1-(1,3-thiazol-2-yl)methanimine
CID 71409553
2-[(3-Fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 130727488

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole (CID 58328527) is 5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole is Cc1ncc(SCCN2CC[C@H](F)C2)s1.
What is the InChIKey of 5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole?
The InChIKey is CFMKXNTXSLITKG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15FN2S2/c1-8-12-6-10(15-8)14-5-4-13-3-2-9(11)7-13/h6,9H,2-5,7H2,1H3/t9-/m0/s1.
What are the key properties of 5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole?
5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole has a molecular weight of 246.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 58328527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).