2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide

C17H14ClFN2O2S — CID 121123703

IUPAC2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
SMILESCc1nc(-c2ccco2)sc1CNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H14ClFN2O2S/c1-10-15(24-17(21-10)14-6-3-7-23-14)9-20-16(22)8-11-12(18)4-2-5-13(11)19/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeyIWRNSCRJXATREF-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.36
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide (PubChem CID 121123703) has the molecular formula C17H14ClFN2O2S and a molecular weight of 364.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
PubChem CID121123703
Molecular FormulaC17H14ClFN2O2S
Molecular Weight364.83 g/mol
Exact Mass364.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
SMILESCc1nc(-c2ccco2)sc1CNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H14ClFN2O2S/c1-10-15(24-17(21-10)14-6-3-7-23-14)9-20-16(22)8-11-12(18)4-2-5-13(11)19/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeyIWRNSCRJXATREF-UHFFFAOYSA-N
XLogP4.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide with MolForge

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Related Compounds

2-(2-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
CID 121123607
2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 121123478
2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide
CID 91783367
2-(2-chloro-6-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2161159
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 121123610
1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121123827
1-[(4-fluorophenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795691
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanecarboxamide
CID 121123450
5-chloro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzamide
CID 121123469
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 121123542
1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123811

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide (CID 121123703) is 2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide is Cc1nc(-c2ccco2)sc1CNC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
The InChIKey is IWRNSCRJXATREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2S/c1-10-15(24-17(21-10)14-6-3-7-23-14)9-20-16(22)8-11-12(18)4-2-5-13(11)19/h2-7H,8-9H2,1H3,(H,20,22).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide has a molecular weight of 364.83 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 121123703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).