N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C16H17F2N3OS — CID 56782313

IUPACN-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC2CCN(c3ccc(F)cc3F)C2)cs1
InChIInChI=1S/C16H17F2N3OS/c1-10-19-13(9-23-10)7-16(22)20-12-4-5-21(8-12)15-3-2-11(17)6-14(15)18/h2-3,6,9,12H,4-5,7-8H2,1H3,(H,20,22)
InChIKeyBPKGQUBXLBPBNM-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.67
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 56782313) has the molecular formula C16H17F2N3OS and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID56782313
Molecular FormulaC16H17F2N3OS
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC2CCN(c3ccc(F)cc3F)C2)cs1
InChIInChI=1S/C16H17F2N3OS/c1-10-19-13(9-23-10)7-16(22)20-12-4-5-21(8-12)15-3-2-11(17)6-14(15)18/h2-3,6,9,12H,4-5,7-8H2,1H3,(H,20,22)
InChIKeyBPKGQUBXLBPBNM-UHFFFAOYSA-N
XLogP2.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 56782313) is N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NC2CCN(c3ccc(F)cc3F)C2)cs1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is BPKGQUBXLBPBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3OS/c1-10-19-13(9-23-10)7-16(22)20-12-4-5-21(8-12)15-3-2-11(17)6-14(15)18/h2-3,6,9,12H,4-5,7-8H2,1H3,(H,20,22).
What are the key properties of N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 337.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 56782313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).