N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide

C11H15F2N3OS — CID 126821820

IUPACN-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(CC(F)F)C2)ns1
InChIInChI=1S/C11H15F2N3OS/c1-7-4-9(15-18-7)11(17)14-8-2-3-16(5-8)6-10(12)13/h4,8,10H,2-3,5-6H2,1H3,(H,14,17)
InChIKeyNYOTXAOBTGLEOD-UHFFFAOYSA-N
MW275.32 g/mol
LogP1.52
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide

N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 126821820) has the molecular formula C11H15F2N3OS and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID126821820
Molecular FormulaC11H15F2N3OS
Molecular Weight275.32 g/mol
Exact Mass275.09
IUPAC NameN-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(CC(F)F)C2)ns1
InChIInChI=1S/C11H15F2N3OS/c1-7-4-9(15-18-7)11(17)14-8-2-3-16(5-8)6-10(12)13/h4,8,10H,2-3,5-6H2,1H3,(H,14,17)
InChIKeyNYOTXAOBTGLEOD-UHFFFAOYSA-N
XLogP1.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide (CID 126821820) is N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(CC(F)F)C2)ns1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is NYOTXAOBTGLEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3OS/c1-7-4-9(15-18-7)11(17)14-8-2-3-16(5-8)6-10(12)13/h4,8,10H,2-3,5-6H2,1H3,(H,14,17).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide?
N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 275.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 126821820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).