N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide

C25H22N2O2S — CID 988211

IUPACN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
SMILESCOc1ccc(Cc2cnc(NC(=O)C(c3ccccc3)c3ccccc3)s2)cc1
InChIInChI=1S/C25H22N2O2S/c1-29-21-14-12-18(13-15-21)16-22-17-26-25(30-22)27-24(28)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17,23H,16H2,1H3,(H,26,27,28)
InChIKeyCUMSHRKWYBMIKM-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.51
Rot. Bonds7

About N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide

N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide (PubChem CID 988211) has the molecular formula C25H22N2O2S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
PubChem CID988211
Molecular FormulaC25H22N2O2S
Molecular Weight414.53 g/mol
Exact Mass414.14
IUPAC NameN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
SMILESCOc1ccc(Cc2cnc(NC(=O)C(c3ccccc3)c3ccccc3)s2)cc1
InChIInChI=1S/C25H22N2O2S/c1-29-21-14-12-18(13-15-21)16-22-17-26-25(30-22)27-24(28)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17,23H,16H2,1H3,(H,26,27,28)
InChIKeyCUMSHRKWYBMIKM-UHFFFAOYSA-N
XLogP5.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(4-Methoxyphenyl)carbonylamino]-1,3-Thiazol-5-Yl]benzoic Acid
CID 57342036
2-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2514833
3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 3707305
N-(5-(4-methoxybenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 779445
3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49851580
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 2163381
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
3-(4-methoxyphenyl)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)acrylamide
CID 1113594
3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 2956024
3-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 24573092
2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(5-methylthiazol-2-yl)propanamide
CID 44423269
N-hydroxy-4-(((2-(p-tolyloxy)ethyl)(5-p-tolylthiazol-2-yl)amino)methyl)benzamide
CID 45102721

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide (CID 988211) is N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide is COc1ccc(Cc2cnc(NC(=O)C(c3ccccc3)c3ccccc3)s2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
The InChIKey is CUMSHRKWYBMIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2S/c1-29-21-14-12-18(13-15-21)16-22-17-26-25(30-22)27-24(28)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17,23H,16H2,1H3,(H,26,27,28).
What are the key properties of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide has a molecular weight of 414.53 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 988211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).