1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide

C11H16FN3OS — CID 163342855

IUPAC1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide
SMILESCc1nc(C)c(CN2CCC(F)(C(N)=O)C2)s1
InChIInChI=1S/C11H16FN3OS/c1-7-9(17-8(2)14-7)5-15-4-3-11(12,6-15)10(13)16/h3-6H2,1-2H3,(H2,13,16)
InChIKeyQLGXNGLVEZAVMC-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.16
Rot. Bonds3

About 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide (PubChem CID 163342855) has the molecular formula C11H16FN3OS and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide
PubChem CID163342855
Molecular FormulaC11H16FN3OS
Molecular Weight257.33 g/mol
Exact Mass257.10
IUPAC Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide
SMILESCc1nc(C)c(CN2CCC(F)(C(N)=O)C2)s1
InChIInChI=1S/C11H16FN3OS/c1-7-9(17-8(2)14-7)5-15-4-3-11(12,6-15)10(13)16/h3-6H2,1-2H3,(H2,13,16)
InChIKeyQLGXNGLVEZAVMC-UHFFFAOYSA-N
XLogP1.16
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide (CID 163342855) is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide is Cc1nc(C)c(CN2CCC(F)(C(N)=O)C2)s1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide?
The InChIKey is QLGXNGLVEZAVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3OS/c1-7-9(17-8(2)14-7)5-15-4-3-11(12,6-15)10(13)16/h3-6H2,1-2H3,(H2,13,16).
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide?
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide is sourced from PubChem (CID 163342855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).