N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide

C21H18FN3O2S — CID 9173860

IUPACN-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(F)c1
InChIInChI=1S/C21H18FN3O2S/c1-12(26)23-16-7-8-17(18(22)10-16)19-11-28-21(25-19)14-3-2-4-15(9-14)24-20(27)13-5-6-13/h2-4,7-11,13H,5-6H2,1H3,(H,23,26)(H,24,27)
InChIKeyBJHLAOJKXCRNSG-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.92
Rot. Bonds5

About N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide

N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide (PubChem CID 9173860) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
PubChem CID9173860
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC NameN-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(F)c1
InChIInChI=1S/C21H18FN3O2S/c1-12(26)23-16-7-8-17(18(22)10-16)19-11-28-21(25-19)14-3-2-4-15(9-14)24-20(27)13-5-6-13/h2-4,7-11,13H,5-6H2,1H3,(H,23,26)(H,24,27)
InChIKeyBJHLAOJKXCRNSG-UHFFFAOYSA-N
XLogP4.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-4-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356448
N-[3-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173855
N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 135569925
N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173830
N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 24505642
N-[3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173812
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 108748401
(3S)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 26207190
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122159689
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55460596
N-[2-[[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 55649957
trans-(1R,2R)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40856431

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide (CID 9173860) is N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide is CC(=O)Nc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(F)c1.
What is the InChIKey of N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is BJHLAOJKXCRNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-12(26)23-16-7-8-17(18(22)10-16)19-11-28-21(25-19)14-3-2-4-15(9-14)24-20(27)13-5-6-13/h2-4,7-11,13H,5-6H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 9173860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).