N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide

C23H27N3O3S — CID 40880417

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN[C@@H](c3ccccc3)C(C)C)n2)cc1OC
InChIInChI=1S/C23H27N3O3S/c1-15(2)22(16-8-6-5-7-9-16)24-13-21(27)26-23-25-18(14-30-23)17-10-11-19(28-3)20(12-17)29-4/h5-12,14-15,22,24H,13H2,1-4H3,(H,25,26,27)/t22-/m1/s1
InChIKeyPRCHVKMCBISYNL-JOCHJYFZSA-N
MW425.55 g/mol
LogP4.75
Rot. Bonds9

About N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide (PubChem CID 40880417) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
PubChem CID40880417
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN[C@@H](c3ccccc3)C(C)C)n2)cc1OC
InChIInChI=1S/C23H27N3O3S/c1-15(2)22(16-8-6-5-7-9-16)24-13-21(27)26-23-25-18(14-30-23)17-10-11-19(28-3)20(12-17)29-4/h5-12,14-15,22,24H,13H2,1-4H3,(H,25,26,27)/t22-/m1/s1
InChIKeyPRCHVKMCBISYNL-JOCHJYFZSA-N
XLogP4.75
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide with MolForge

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Related Compounds

2-[1-(2-chlorophenyl)ethylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 17422913
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 40880412
3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 24686062
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 42994615
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylanilino)acetamide
CID 78822990
2-(cyclopropylmethylamino)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676830
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336
(2R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 51859086
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 23733738
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2550621
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 112794584
2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 41340418

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide (CID 40880417) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide is COc1ccc(-c2csc(NC(=O)CN[C@@H](c3ccccc3)C(C)C)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The InChIKey is PRCHVKMCBISYNL-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-15(2)22(16-8-6-5-7-9-16)24-13-21(27)26-23-25-18(14-30-23)17-10-11-19(28-3)20(12-17)29-4/h5-12,14-15,22,24H,13H2,1-4H3,(H,25,26,27)/t22-/m1/s1.
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide has a molecular weight of 425.55 g/mol, XLogP of 4.75, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide is sourced from PubChem (CID 40880417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).