N-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

C27H32N4O5S — CID 46171690

IUPACN-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)NC2CCC(NC(=O)c3csc(COc4ccc(C)cc4)n3)CC2)c(OC)c1
InChIInChI=1S/C27H32N4O5S/c1-17-4-10-20(11-5-17)36-15-25-30-23(16-37-25)26(32)28-18-6-8-19(9-7-18)29-27(33)31-22-13-12-21(34-2)14-24(22)35-3/h4-5,10-14,16,18-19H,6-9,15H2,1-3H3,(H,28,32)(H2,29,31,33)
InChIKeyWUSLQXIHGMBNMD-UHFFFAOYSA-N
MW524.64 g/mol
LogP4.91
Rot. Bonds9

About N-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

N-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46171690) has the molecular formula C27H32N4O5S and a molecular weight of 524.64 g/mol. Its IUPAC name is N-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID46171690
Molecular FormulaC27H32N4O5S
Molecular Weight524.64 g/mol
Exact Mass524.21
IUPAC NameN-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)NC2CCC(NC(=O)c3csc(COc4ccc(C)cc4)n3)CC2)c(OC)c1
InChIInChI=1S/C27H32N4O5S/c1-17-4-10-20(11-5-17)36-15-25-30-23(16-37-25)26(32)28-18-6-8-19(9-7-18)29-27(33)31-22-13-12-21(34-2)14-24(22)35-3/h4-5,10-14,16,18-19H,6-9,15H2,1-3H3,(H,28,32)(H2,29,31,33)
InChIKeyWUSLQXIHGMBNMD-UHFFFAOYSA-N
XLogP4.91
TPSA110.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.64
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(4-tert-butylbenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105856
N-cyclohexyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955034
N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16845047
2-[(3,5-dimethylphenoxy)methyl]-N-[(1R,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014586
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
CID 46510444
2-[(3,5-dimethylphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 46105977
N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 18169105
2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014469
N'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide
CID 25443390
N-[2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42879965
2-[(4-methylphenoxy)methyl]-N-[(1R,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014468
N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42879967

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 46171690) is N-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)NC2CCC(NC(=O)c3csc(COc4ccc(C)cc4)n3)CC2)c(OC)c1.
What is the InChIKey of N-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WUSLQXIHGMBNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5S/c1-17-4-10-20(11-5-17)36-15-25-30-23(16-37-25)26(32)28-18-6-8-19(9-7-18)29-27(33)31-22-13-12-21(34-2)14-24(22)35-3/h4-5,10-14,16,18-19H,6-9,15H2,1-3H3,(H,28,32)(H2,29,31,33).
What are the key properties of N-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 524.64 g/mol, XLogP of 4.91, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46171690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).