5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole

C10H14F2N2S — CID 122269264

IUPAC5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2CCC(F)(F)C2)s1
InChIInChI=1S/C10H14F2N2S/c1-7-9(15-8(2)13-7)5-14-4-3-10(11,12)6-14/h3-6H2,1-2H3
InChIKeyZHHPDKMLNCJHJN-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.60
Rot. Bonds2

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

5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 122269264) has the molecular formula C10H14F2N2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
PubChem CID122269264
Molecular FormulaC10H14F2N2S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2CCC(F)(F)C2)s1
InChIInChI=1S/C10H14F2N2S/c1-7-9(15-8(2)13-7)5-14-4-3-10(11,12)6-14/h3-6H2,1-2H3
InChIKeyZHHPDKMLNCJHJN-UHFFFAOYSA-N
XLogP2.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole (CID 122269264) is 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(CN2CCC(F)(F)C2)s1.
What is the InChIKey of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is ZHHPDKMLNCJHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2S/c1-7-9(15-8(2)13-7)5-14-4-3-10(11,12)6-14/h3-6H2,1-2H3.
What are the key properties of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole?
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 232.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 122269264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).