2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide

C23H18N2O3S — CID 4530772

IUPAC2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1
InChIInChI=1S/C23H18N2O3S/c1-27-21-10-6-5-9-19(21)22(26)25-23-24-20(15-29-23)16-11-13-18(14-12-16)28-17-7-3-2-4-8-17/h2-15H,1H3,(H,24,25,26)
InChIKeyZZZFCPSHGJNTKE-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.86
Rot. Bonds6

About 2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide

2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4530772) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4530772
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC Name2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1
InChIInChI=1S/C23H18N2O3S/c1-27-21-10-6-5-9-19(21)22(26)25-23-24-20(15-29-23)16-11-13-18(14-12-16)28-17-7-3-2-4-8-17/h2-15H,1H3,(H,24,25,26)
InChIKeyZZZFCPSHGJNTKE-UHFFFAOYSA-N
XLogP5.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4138513
2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 9111057
2,5-dimethoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848702
N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 6552731
2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848687
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3650326
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
2-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 100801615
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 27993083
2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
CID 112760590

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 4530772) is 2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccccc1C(=O)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1.
What is the InChIKey of 2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is ZZZFCPSHGJNTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c1-27-21-10-6-5-9-19(21)22(26)25-23-24-20(15-29-23)16-11-13-18(14-12-16)28-17-7-3-2-4-8-17/h2-15H,1H3,(H,24,25,26).
What are the key properties of 2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide?
2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 402.48 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4530772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).