N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide

C17H19FN2OS — CID 668748

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2)s1)C1CCCCC1
InChIInChI=1S/C17H19FN2OS/c18-14-8-6-12(7-9-14)10-15-11-19-17(22-15)20-16(21)13-4-2-1-3-5-13/h6-9,11,13H,1-5,10H2,(H,19,20,21)
InChIKeyRTMMQODGEVLHTA-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.39
Rot. Bonds4

About N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide (PubChem CID 668748) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
PubChem CID668748
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2)s1)C1CCCCC1
InChIInChI=1S/C17H19FN2OS/c18-14-8-6-12(7-9-14)10-15-11-19-17(22-15)20-16(21)13-4-2-1-3-5-13/h6-9,11,13H,1-5,10H2,(H,19,20,21)
InChIKeyRTMMQODGEVLHTA-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide (CID 668748) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide is O=C(Nc1ncc(Cc2ccc(F)cc2)s1)C1CCCCC1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is RTMMQODGEVLHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c18-14-8-6-12(7-9-14)10-15-11-19-17(22-15)20-16(21)13-4-2-1-3-5-13/h6-9,11,13H,1-5,10H2,(H,19,20,21).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 668748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).