2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide

C25H22N2O3S — CID 108762322

IUPAC2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C25H22N2O3S/c1-29-21-9-6-10-22(30-2)23(21)24(28)26-15-17-11-13-19(14-12-17)25-27-20(16-31-25)18-7-4-3-5-8-18/h3-14,16H,15H2,1-2H3,(H,26,28)
InChIKeyANLPZIQDLUNGCE-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.42
Rot. Bonds7

About 2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide

2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide (PubChem CID 108762322) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
PubChem CID108762322
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C25H22N2O3S/c1-29-21-9-6-10-22(30-2)23(21)24(28)26-15-17-11-13-19(14-12-17)25-27-20(16-31-25)18-7-4-3-5-8-18/h3-14,16H,15H2,1-2H3,(H,26,28)
InChIKeyANLPZIQDLUNGCE-UHFFFAOYSA-N
XLogP5.42
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate
CID 108739699
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108725348
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774049
2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108749589
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108739729
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624
4-(2-methylphenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108762394
phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate
CID 108738413
butyl N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108739666

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide (CID 108762322) is 2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide is COc1cccc(OC)c1C(=O)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The InChIKey is ANLPZIQDLUNGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S/c1-29-21-9-6-10-22(30-2)23(21)24(28)26-15-17-11-13-19(14-12-17)25-27-20(16-31-25)18-7-4-3-5-8-18/h3-14,16H,15H2,1-2H3,(H,26,28).
What are the key properties of 2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide?
2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide has a molecular weight of 430.53 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 108762322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).