N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide

C16H17F2N3OS — CID 119751025

IUPACN-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1ncc(Cc2ccc(F)cc2F)s1
InChIInChI=1S/C16H17F2N3OS/c17-11-4-3-10(14(18)7-11)6-13-9-20-16(23-13)21-15(22)8-12-2-1-5-19-12/h3-4,7,9,12,19H,1-2,5-6,8H2,(H,20,21,22)
InChIKeyMLBXOBFJZRSBLU-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.09
Rot. Bonds5

About N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide

N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119751025) has the molecular formula C16H17F2N3OS and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
PubChem CID119751025
Molecular FormulaC16H17F2N3OS
Molecular Weight337.39 g/mol
Exact Mass337.11
IUPAC NameN-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1ncc(Cc2ccc(F)cc2F)s1
InChIInChI=1S/C16H17F2N3OS/c17-11-4-3-10(14(18)7-11)6-13-9-20-16(23-13)21-15(22)8-12-2-1-5-19-12/h3-4,7,9,12,19H,1-2,5-6,8H2,(H,20,21,22)
InChIKeyMLBXOBFJZRSBLU-UHFFFAOYSA-N
XLogP3.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 60578895
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride
CID 119752322
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 51125724
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286796
N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106638289
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936602
N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119873541
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120987384
2-(4-fluoroanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2239908
N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 61366590
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
CID 119718739

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide (CID 119751025) is N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1ncc(Cc2ccc(F)cc2F)s1.
What is the InChIKey of N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is MLBXOBFJZRSBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3OS/c17-11-4-3-10(14(18)7-11)6-13-9-20-16(23-13)21-15(22)8-12-2-1-5-19-12/h3-4,7,9,12,19H,1-2,5-6,8H2,(H,20,21,22).
What are the key properties of N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide?
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 337.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119751025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).