N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide

C19H21ClN2O3S — CID 75417508

IUPACN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)N(C)C2(c3ccccc3Cl)CCCCC2=O)cs1
InChIInChI=1S/C19H21ClN2O3S/c1-22(18(24)15-12-26-17(21-15)11-25-2)19(10-6-5-9-16(19)23)13-7-3-4-8-14(13)20/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChIKeyQNDIVIUSSGHIJU-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.05
Rot. Bonds5

About N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide

N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 75417508) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID75417508
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)N(C)C2(c3ccccc3Cl)CCCCC2=O)cs1
InChIInChI=1S/C19H21ClN2O3S/c1-22(18(24)15-12-26-17(21-15)11-25-2)19(10-6-5-9-16(19)23)13-7-3-4-8-14(13)20/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChIKeyQNDIVIUSSGHIJU-UHFFFAOYSA-N
XLogP4.05
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 75417508) is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide is COCc1nc(C(=O)N(C)C2(c3ccccc3Cl)CCCCC2=O)cs1.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is QNDIVIUSSGHIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-22(18(24)15-12-26-17(21-15)11-25-2)19(10-6-5-9-16(19)23)13-7-3-4-8-14(13)20/h3-4,7-8,12H,5-6,9-11H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide?
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75417508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).