2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide

C22H29FN2OS — CID 16563687

IUPAC2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)Cc2csc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C22H29FN2OS/c1-4-22(2,3)16-8-10-18(11-9-16)24-20(26)13-19-14-27-21(25-19)15-6-5-7-17(23)12-15/h5-7,12,14,16,18H,4,8-11,13H2,1-3H3,(H,24,26)
InChIKeyYIOVCNALNSRHNH-UHFFFAOYSA-N
MW388.55 g/mol
LogP5.60
Rot. Bonds6

About 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide (PubChem CID 16563687) has the molecular formula C22H29FN2OS and a molecular weight of 388.55 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
PubChem CID16563687
Molecular FormulaC22H29FN2OS
Molecular Weight388.55 g/mol
Exact Mass388.20
IUPAC Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)Cc2csc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C22H29FN2OS/c1-4-22(2,3)16-8-10-18(11-9-16)24-20(26)13-19-14-27-21(25-19)15-6-5-7-17(23)12-15/h5-7,12,14,16,18H,4,8-11,13H2,1-3H3,(H,24,26)
InChIKeyYIOVCNALNSRHNH-UHFFFAOYSA-N
XLogP5.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000
N-(4-aminocyclohexyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119474502
N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17435272
cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675846
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563691
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119455230
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119639768
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 112804141
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide
CID 55363994
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide (CID 16563687) is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide is CCC(C)(C)C1CCC(NC(=O)Cc2csc(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The InChIKey is YIOVCNALNSRHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2OS/c1-4-22(2,3)16-8-10-18(11-9-16)24-20(26)13-19-14-27-21(25-19)15-6-5-7-17(23)12-15/h5-7,12,14,16,18H,4,8-11,13H2,1-3H3,(H,24,26).
What are the key properties of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide has a molecular weight of 388.55 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide is sourced from PubChem (CID 16563687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).