5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole

C10H14F2N2S2 — CID 58328478

IUPAC5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(SCCN2C[C@@H](F)[C@@H](F)C2)s1
InChIInChI=1S/C10H14F2N2S2/c1-7-13-4-10(16-7)15-3-2-14-5-8(11)9(12)6-14/h4,8-9H,2-3,5-6H2,1H3/t8-,9+
InChIKeyGSWISZMRKLBRKB-DTORHVGOSA-N
MW264.37 g/mol
LogP2.54
Rot. Bonds4

About 5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole

5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole (PubChem CID 58328478) has the molecular formula C10H14F2N2S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole
PubChem CID58328478
Molecular FormulaC10H14F2N2S2
Molecular Weight264.37 g/mol
Exact Mass264.06
IUPAC Name5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(SCCN2C[C@@H](F)[C@@H](F)C2)s1
InChIInChI=1S/C10H14F2N2S2/c1-7-13-4-10(16-7)15-3-2-14-5-8(11)9(12)6-14/h4,8-9H,2-3,5-6H2,1H3/t8-,9+
InChIKeyGSWISZMRKLBRKB-DTORHVGOSA-N
XLogP2.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole with MolForge

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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]-1,3-thiazol-2-amine
CID 58328465
5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole
CID 58328527
5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole
CID 70806725
5-[2-(3,4-Difluoropyrrolidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine
CID 76762021
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
2-[(3-Fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 130727488
2-[(3,3-Difluoropyrrolidin-1-yl)methyl]-1,3-thiazole
CID 133673375
5-(1,1-Difluorobutan-2-ylsulfanyl)-1,3-thiazole
CID 152582647

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole (CID 58328478) is 5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole is Cc1ncc(SCCN2C[C@@H](F)[C@@H](F)C2)s1.
What is the InChIKey of 5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole?
The InChIKey is GSWISZMRKLBRKB-DTORHVGOSA-N. The full InChI is InChI=1S/C10H14F2N2S2/c1-7-13-4-10(16-7)15-3-2-14-5-8(11)9(12)6-14/h4,8-9H,2-3,5-6H2,1H3/t8-,9+.
What are the key properties of 5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole?
5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole has a molecular weight of 264.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 58328478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).