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

C9H13FN2S — CID 112564341

IUPAC4-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CC2(F)CCNC2)cs1
InChIInChI=1S/C9H13FN2S/c1-7-12-8(5-13-7)4-9(10)2-3-11-6-9/h5,11H,2-4,6H2,1H3
InChIKeyYHRVRYDLELRWNL-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.70
Rot. Bonds2

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

4-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 112564341) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID112564341
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name4-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CC2(F)CCNC2)cs1
InChIInChI=1S/C9H13FN2S/c1-7-12-8(5-13-7)4-9(10)2-3-11-6-9/h5,11H,2-4,6H2,1H3
InChIKeyYHRVRYDLELRWNL-UHFFFAOYSA-N
XLogP1.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Ethyl-1,3-thiazol-2-yl)piperidine
CID 24261827
4-Methyl-2-((pyrrolidin-2-yl)methyl)-1,3-thiazole
CID 24262084
2-methyl-4-((2S)-pyrrolidin-2-yl)-1,3-thiazole
CID 55296267
2-Methyl-4-(pyrrolidin-2-yl)-1,3-thiazole
CID 55297996
4-[4-(Propan-2-yl)-1,3-thiazol-2-yl]piperidine
CID 24261828
2-methyl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 75481325
2-[(2R,4S)-4-fluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole
CID 57486722
4-(3-Azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 71250466
2-(4-Fluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole
CID 76542275
4-(3-Azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 162339887
2-Propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole
CID 170279409
5,5,5-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 64564955

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyl-1,3-thiazole (CID 112564341) is 4-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyl-1,3-thiazole is Cc1nc(CC2(F)CCNC2)cs1.
What is the InChIKey of 4-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is YHRVRYDLELRWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c1-7-12-8(5-13-7)4-9(10)2-3-11-6-9/h5,11H,2-4,6H2,1H3.
What are the key properties of 4-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyl-1,3-thiazole?
4-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 200.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 112564341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).