5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole

C8H10ClFN2S — CID 130992385

IUPAC5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole
SMILESFCC1CCCN1c1ncc(Cl)s1
InChIInChI=1S/C8H10ClFN2S/c9-7-5-11-8(13-7)12-3-1-2-6(12)4-10/h5-6H,1-4H2
InChIKeyMUVMMDCIRQQJIP-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.73
Rot. Bonds2

About 5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole

5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole (PubChem CID 130992385) has the molecular formula C8H10ClFN2S and a molecular weight of 220.70 g/mol. Its IUPAC name is 5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole
PubChem CID130992385
Molecular FormulaC8H10ClFN2S
Molecular Weight220.70 g/mol
Exact Mass220.02
IUPAC Name5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole
SMILESFCC1CCCN1c1ncc(Cl)s1
InChIInChI=1S/C8H10ClFN2S/c9-7-5-11-8(13-7)12-3-1-2-6(12)4-10/h5-6H,1-4H2
InChIKeyMUVMMDCIRQQJIP-UHFFFAOYSA-N
XLogP2.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole
CID 130626861
5-chloro-N-(3,3-difluorocyclopentyl)-1,3-thiazol-2-amine
CID 130736286
5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-2-amine
CID 131020674
5-chloro-N-(2,2-difluorocyclopentyl)-1,3-thiazol-2-amine
CID 131067518
1-(5-Chloro-2-thiazolyl)piperidine
CID 117260280
N-(2-chloroethyl)-N-cyclopentyl-1,3-thiazol-2-amine
CID 63388502
2-[2-(Chloromethyl)pyrrolidin-1-yl]-1,3-thiazole
CID 63390029
5-Bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole
CID 79035369
5-chloro-N-cyclopentyl-1,3-thiazol-2-amine
CID 117260277
5-Chloro-2-(1-pyrrolidinyl)thiazole
CID 117260279
2-(Azepan-1-yl)-5-chloro-1,3-thiazole
CID 117260281
5-Chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole
CID 126990856

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole?
The IUPAC name of 5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole (CID 130992385) is 5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole?
The canonical SMILES for 5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole is FCC1CCCN1c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole?
The InChIKey is MUVMMDCIRQQJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2S/c9-7-5-11-8(13-7)12-3-1-2-6(12)4-10/h5-6H,1-4H2.
What are the key properties of 5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole?
5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole has a molecular weight of 220.70 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 130992385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).