4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole

C9H13FN2S — CID 70955040

IUPAC4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole
SMILESCCc1csc(N2CC[C@H](F)C2)n1
InChIInChI=1S/C9H13FN2S/c1-2-8-6-13-9(11-8)12-4-3-7(10)5-12/h6-7H,2-5H2,1H3/t7-/m0/s1
InChIKeyNMPBTYHKJPLTHM-ZETCQYMHSA-N
MW200.28 g/mol
LogP2.25
Rot. Bonds2

About 4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole

4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole (PubChem CID 70955040) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole
PubChem CID70955040
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole
SMILESCCc1csc(N2CC[C@H](F)C2)n1
InChIInChI=1S/C9H13FN2S/c1-2-8-6-13-9(11-8)12-4-3-7(10)5-12/h6-7H,2-5H2,1H3/t7-/m0/s1
InChIKeyNMPBTYHKJPLTHM-ZETCQYMHSA-N
XLogP2.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 154839168
1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553166
2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802425
2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63389754
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanamine
CID 63595044
4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole
CID 94905443
carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
CID 161487034
2-[3-(bromomethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 80673929
2-[3-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63392700
2-(4-bromoazepan-1-yl)-4-ethyl-1,3-thiazole
CID 130978942
2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole
CID 130619317
2-(4-ethyl-1,3-thiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115076

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole?
The IUPAC name of 4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole (CID 70955040) is 4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole is CCc1csc(N2CC[C@H](F)C2)n1.
What is the InChIKey of 4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole?
The InChIKey is NMPBTYHKJPLTHM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13FN2S/c1-2-8-6-13-9(11-8)12-4-3-7(10)5-12/h6-7H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of 4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole?
4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole has a molecular weight of 200.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 70955040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).