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

C11H7ClF2N2OS — CID 4202014

IUPAC2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CCl)Nc1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C11H7ClF2N2OS/c12-4-10(17)16-11-15-9(5-18-11)7-2-1-6(13)3-8(7)14/h1-3,5H,4H2,(H,15,16,17)
InChIKeyAHVLYPJROVJASL-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.27
Rot. Bonds3

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

2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 4202014) has the molecular formula C11H7ClF2N2OS and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID4202014
Molecular FormulaC11H7ClF2N2OS
Molecular Weight288.71 g/mol
Exact Mass287.99
IUPAC Name2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CCl)Nc1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C11H7ClF2N2OS/c12-4-10(17)16-11-15-9(5-18-11)7-2-1-6(13)3-8(7)14/h1-3,5H,4H2,(H,15,16,17)
InChIKeyAHVLYPJROVJASL-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 16910539
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-propan-2-ylurea
CID 156560492
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 2165576
4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 60642208
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 3498985
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 5065233
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 4135604
3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 1011238
(E)-3-(2,4-dichlorophenyl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 6260356

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 4202014) is 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(CCl)Nc1nc(-c2ccc(F)cc2F)cs1.
What is the InChIKey of 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is AHVLYPJROVJASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2OS/c12-4-10(17)16-11-15-9(5-18-11)7-2-1-6(13)3-8(7)14/h1-3,5H,4H2,(H,15,16,17).
What are the key properties of 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 288.71 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 4202014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).