4-[4-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclohexyl]oxy-2-methoxy-1,3-thiazole-5-carboxamide

C23H24N6O4S — CID 166696355

IUPAC4-[4-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclohexyl]oxy-2-methoxy-1,3-thiazole-5-carboxamide
SMILESCOc1nc(OC2CCC(NC(=O)c3cnn(-c4ccc(C#N)cc4)c3C)CC2)c(C(N)=O)s1
InChIInChI=1S/C23H24N6O4S/c1-13-18(12-26-29(13)16-7-3-14(11-24)4-8-16)21(31)27-15-5-9-17(10-6-15)33-22-19(20(25)30)34-23(28-22)32-2/h3-4,7-8,12,15,17H,5-6,9-10H2,1-2H3,(H2,25,30)(H,27,31)
InChIKeyXRCAKZKUSWXVQC-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.74
Rot. Bonds7

About 4-[4-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclohexyl]oxy-2-methoxy-1,3-thiazole-5-carboxamide

4-[4-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclohexyl]oxy-2-methoxy-1,3-thiazole-5-carboxamide (PubChem CID 166696355) has the molecular formula C23H24N6O4S and a molecular weight of 480.55 g/mol. Its IUPAC name is 4-[4-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclohexyl]oxy-2-methoxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-[4-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclohexyl]oxy-2-methoxy-1,3-thiazole-5-carboxamide
PubChem CID166696355
Molecular FormulaC23H24N6O4S
Molecular Weight480.55 g/mol
Exact Mass480.16
IUPAC Name4-[4-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclohexyl]oxy-2-methoxy-1,3-thiazole-5-carboxamide
SMILESCOc1nc(OC2CCC(NC(=O)c3cnn(-c4ccc(C#N)cc4)c3C)CC2)c(C(N)=O)s1
InChIInChI=1S/C23H24N6O4S/c1-13-18(12-26-29(13)16-7-3-14(11-24)4-8-16)21(31)27-15-5-9-17(10-6-15)33-22-19(20(25)30)34-23(28-22)32-2/h3-4,7-8,12,15,17H,5-6,9-10H2,1-2H3,(H2,25,30)(H,27,31)
InChIKeyXRCAKZKUSWXVQC-UHFFFAOYSA-N
XLogP2.74
TPSA145.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclohexyl]oxy-2-methoxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-[4-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclohexyl]oxy-2-methoxy-1,3-thiazole-5-carboxamide (CID 166696355) is 4-[4-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclohexyl]oxy-2-methoxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-[4-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclohexyl]oxy-2-methoxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-[4-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclohexyl]oxy-2-methoxy-1,3-thiazole-5-carboxamide is COc1nc(OC2CCC(NC(=O)c3cnn(-c4ccc(C#N)cc4)c3C)CC2)c(C(N)=O)s1.
What is the InChIKey of 4-[4-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclohexyl]oxy-2-methoxy-1,3-thiazole-5-carboxamide?
The InChIKey is XRCAKZKUSWXVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S/c1-13-18(12-26-29(13)16-7-3-14(11-24)4-8-16)21(31)27-15-5-9-17(10-6-15)33-22-19(20(25)30)34-23(28-22)32-2/h3-4,7-8,12,15,17H,5-6,9-10H2,1-2H3,(H2,25,30)(H,27,31).
What are the key properties of 4-[4-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclohexyl]oxy-2-methoxy-1,3-thiazole-5-carboxamide?
4-[4-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclohexyl]oxy-2-methoxy-1,3-thiazole-5-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclohexyl]oxy-2-methoxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166696355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).