N-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C21H19F2N3O2S — CID 118720249

IUPACN-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1OC1CCCCC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C21H19F2N3O2S/c22-14-7-4-8-15(23)19(14)21-26-17(12-29-21)20(27)25-16-11-24-10-9-18(16)28-13-5-2-1-3-6-13/h4,7-13H,1-3,5-6H2,(H,25,27)
InChIKeyQVAKUYTZVMRSAG-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.45
Rot. Bonds5

About N-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

N-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 118720249) has the molecular formula C21H19F2N3O2S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID118720249
Molecular FormulaC21H19F2N3O2S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1OC1CCCCC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C21H19F2N3O2S/c22-14-7-4-8-15(23)19(14)21-26-17(12-29-21)20(27)25-16-11-24-10-9-18(16)28-13-5-2-1-3-6-13/h4,7-13H,1-3,5-6H2,(H,25,27)
InChIKeyQVAKUYTZVMRSAG-UHFFFAOYSA-N
XLogP5.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 118720249) is N-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1OC1CCCCC1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of N-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QVAKUYTZVMRSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2S/c22-14-7-4-8-15(23)19(14)21-26-17(12-29-21)20(27)25-16-11-24-10-9-18(16)28-13-5-2-1-3-6-13/h4,7-13H,1-3,5-6H2,(H,25,27).
What are the key properties of N-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
N-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118720249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).