2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide

C27H31N3O4S — CID 46106113

IUPAC2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1OCc1nc(C(=O)NC2CCC(NC(=O)CCc3ccccc3)CC2)cs1
InChIInChI=1S/C27H31N3O4S/c1-33-23-9-5-6-10-24(23)34-17-26-30-22(18-35-26)27(32)29-21-14-12-20(13-15-21)28-25(31)16-11-19-7-3-2-4-8-19/h2-10,18,20-21H,11-17H2,1H3,(H,28,31)(H,29,32)
InChIKeyHRARGTHZSRCAMP-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.52
Rot. Bonds10

About 2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide

2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide (PubChem CID 46106113) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is 2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide
PubChem CID46106113
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC Name2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1OCc1nc(C(=O)NC2CCC(NC(=O)CCc3ccccc3)CC2)cs1
InChIInChI=1S/C27H31N3O4S/c1-33-23-9-5-6-10-24(23)34-17-26-30-22(18-35-26)27(32)29-21-14-12-20(13-15-21)28-25(31)16-11-19-7-3-2-4-8-19/h2-10,18,20-21H,11-17H2,1H3,(H,28,31)(H,29,32)
InChIKeyHRARGTHZSRCAMP-UHFFFAOYSA-N
XLogP4.52
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethylphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 46105977
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 46106317
N-cyclopropyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24713029
2-[(2-fluorophenoxy)methyl]-N-[4-[[(3R)-3,5,5-trimethylhexanoyl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014726
N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003204
N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 56783188
N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46106073
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 48579146
4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229809
N-cyclopropyl-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333079
N-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46106236
4-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230199

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide (CID 46106113) is 2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide is COc1ccccc1OCc1nc(C(=O)NC2CCC(NC(=O)CCc3ccccc3)CC2)cs1.
What is the InChIKey of 2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HRARGTHZSRCAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-33-23-9-5-6-10-24(23)34-17-26-30-22(18-35-26)27(32)29-21-14-12-20(13-15-21)28-25(31)16-11-19-7-3-2-4-8-19/h2-10,18,20-21H,11-17H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide?
2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide has a molecular weight of 493.63 g/mol, XLogP of 4.52, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46106113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).