5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole

C9H13FN2S — CID 84775884

IUPAC5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1nc(C2CCNC2)sc1CF
InChIInChI=1S/C9H13FN2S/c1-6-8(4-10)13-9(12-6)7-2-3-11-5-7/h7,11H,2-5H2,1H3
InChIKeyAVJGORNFMSAARI-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.00
Rot. Bonds2

About 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole

5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 84775884) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole
PubChem CID84775884
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1nc(C2CCNC2)sc1CF
InChIInChI=1S/C9H13FN2S/c1-6-8(4-10)13-9(12-6)7-2-3-11-5-7/h7,11H,2-5H2,1H3
InChIKeyAVJGORNFMSAARI-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole
CID 84795505
2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885085
4-methyl-2-pyrrolidin-3-yl-1,3-thiazole-5-carboxylic acid
CID 121199781
2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885195
5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 84792288
2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 116885219
5-methyl-4-propan-2-yl-2-pyrrolidin-3-yl-1,3-thiazole
CID 105464488
2-(azetidin-3-yl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034156
2-[(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 116886580
2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole
CID 116885135
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448
tert-butyl formate;(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)methanol
CID 174585504

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole (CID 84775884) is 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole is Cc1nc(C2CCNC2)sc1CF.
What is the InChIKey of 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is AVJGORNFMSAARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c1-6-8(4-10)13-9(12-6)7-2-3-11-5-7/h7,11H,2-5H2,1H3.
What are the key properties of 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole?
5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 200.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 84775884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).