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

C17H19FN2OS — CID 17435272

IUPACN-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)NC1CCCCC1
InChIInChI=1S/C17H19FN2OS/c18-13-6-4-5-12(9-13)17-20-15(11-22-17)10-16(21)19-14-7-2-1-3-8-14/h4-6,9,11,14H,1-3,7-8,10H2,(H,19,21)
InChIKeyJQFHLLBSYQQULK-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.94
Rot. Bonds4

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

N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 17435272) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID17435272
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC NameN-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)NC1CCCCC1
InChIInChI=1S/C17H19FN2OS/c18-13-6-4-5-12(9-13)17-20-15(11-22-17)10-16(21)19-14-7-2-1-3-8-14/h4-6,9,11,14H,1-3,7-8,10H2,(H,19,21)
InChIKeyJQFHLLBSYQQULK-UHFFFAOYSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide (CID 17435272) is N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2cccc(F)c2)n1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is JQFHLLBSYQQULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c18-13-6-4-5-12(9-13)17-20-15(11-22-17)10-16(21)19-14-7-2-1-3-8-14/h4-6,9,11,14H,1-3,7-8,10H2,(H,19,21).
What are the key properties of N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 17435272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).