4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide

C21H17N3O3S2 — CID 86878089

IUPAC4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCc2cscn2)c1)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C21H17N3O3S2/c25-21(15-4-6-19(7-5-15)26-9-17-11-28-13-22-17)24-16-2-1-3-20(8-16)27-10-18-12-29-14-23-18/h1-8,11-14H,9-10H2,(H,24,25)
InChIKeyOONVEBGVARWJKL-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.01
Rot. Bonds8

About 4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide

4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide (PubChem CID 86878089) has the molecular formula C21H17N3O3S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
PubChem CID86878089
Molecular FormulaC21H17N3O3S2
Molecular Weight423.52 g/mol
Exact Mass423.07
IUPAC Name4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCc2cscn2)c1)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C21H17N3O3S2/c25-21(15-4-6-19(7-5-15)26-9-17-11-28-13-22-17)24-16-2-1-3-20(8-16)27-10-18-12-29-14-23-18/h1-8,11-14H,9-10H2,(H,24,25)
InChIKeyOONVEBGVARWJKL-UHFFFAOYSA-N
XLogP5.01
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55878725
N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 8926941
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46568531
N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 31521005
N-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24514926
3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 9453652
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
CID 60615827
N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
CID 86834806
1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655
N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27285386

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide?
The IUPAC name of 4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide (CID 86878089) is 4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide is O=C(Nc1cccc(OCc2cscn2)c1)c1ccc(OCc2cscn2)cc1.
What is the InChIKey of 4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide?
The InChIKey is OONVEBGVARWJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S2/c25-21(15-4-6-19(7-5-15)26-9-17-11-28-13-22-17)24-16-2-1-3-20(8-16)27-10-18-12-29-14-23-18/h1-8,11-14H,9-10H2,(H,24,25).
What are the key properties of 4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide?
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide has a molecular weight of 423.52 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 86878089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).