N-[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]acetamide

C23H24ClFN4O2S — CID 59682968

IUPACN-[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]acetamide
SMILESCC(=O)NC1(Cc2cccc(Nc3nccs3)n2)CCC(Oc2cccc(Cl)c2F)CC1
InChIInChI=1S/C23H24ClFN4O2S/c1-15(30)29-23(14-16-4-2-7-20(27-16)28-22-26-12-13-32-22)10-8-17(9-11-23)31-19-6-3-5-18(24)21(19)25/h2-7,12-13,17H,8-11,14H2,1H3,(H,29,30)(H,26,27,28)
InChIKeyXZTYFGBEDWNFPM-UHFFFAOYSA-N
MW474.99 g/mol
LogP5.51
Rot. Bonds7

About N-[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]acetamide

N-[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]acetamide (PubChem CID 59682968) has the molecular formula C23H24ClFN4O2S and a molecular weight of 474.99 g/mol. Its IUPAC name is N-[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]acetamide
PubChem CID59682968
Molecular FormulaC23H24ClFN4O2S
Molecular Weight474.99 g/mol
Exact Mass474.13
IUPAC NameN-[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]acetamide
SMILESCC(=O)NC1(Cc2cccc(Nc3nccs3)n2)CCC(Oc2cccc(Cl)c2F)CC1
InChIInChI=1S/C23H24ClFN4O2S/c1-15(30)29-23(14-16-4-2-7-20(27-16)28-22-26-12-13-32-22)10-8-17(9-11-23)31-19-6-3-5-18(24)21(19)25/h2-7,12-13,17H,8-11,14H2,1H3,(H,29,30)(H,26,27,28)
InChIKeyXZTYFGBEDWNFPM-UHFFFAOYSA-N
XLogP5.51
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.99
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]acetamide (CID 59682968) is N-[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]acetamide is CC(=O)NC1(Cc2cccc(Nc3nccs3)n2)CCC(Oc2cccc(Cl)c2F)CC1.
What is the InChIKey of N-[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]acetamide?
The InChIKey is XZTYFGBEDWNFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O2S/c1-15(30)29-23(14-16-4-2-7-20(27-16)28-22-26-12-13-32-22)10-8-17(9-11-23)31-19-6-3-5-18(24)21(19)25/h2-7,12-13,17H,8-11,14H2,1H3,(H,29,30)(H,26,27,28).
What are the key properties of N-[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]acetamide?
N-[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]acetamide has a molecular weight of 474.99 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]acetamide is sourced from PubChem (CID 59682968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).