3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide

C25H22N4O3S — CID 121407776

IUPAC3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
SMILESCOc1cc(C(=O)Nc2nnc(-c3ccncc3)s2)ccc1OC1CCCc2ccccc21
InChIInChI=1S/C25H22N4O3S/c1-31-22-15-18(23(30)27-25-29-28-24(33-25)17-11-13-26-14-12-17)9-10-21(22)32-20-8-4-6-16-5-2-3-7-19(16)20/h2-3,5,7,9-15,20H,4,6,8H2,1H3,(H,27,29,30)
InChIKeyUMTYGLGTYOEZRV-UHFFFAOYSA-N
MW458.54 g/mol
LogP5.32
Rot. Bonds6

About 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide

3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide (PubChem CID 121407776) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
PubChem CID121407776
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC Name3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
SMILESCOc1cc(C(=O)Nc2nnc(-c3ccncc3)s2)ccc1OC1CCCc2ccccc21
InChIInChI=1S/C25H22N4O3S/c1-31-22-15-18(23(30)27-25-29-28-24(33-25)17-11-13-26-14-12-17)9-10-21(22)32-20-8-4-6-16-5-2-3-7-19(16)20/h2-3,5,7,9-15,20H,4,6,8H2,1H3,(H,27,29,30)
InChIKeyUMTYGLGTYOEZRV-UHFFFAOYSA-N
XLogP5.32
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.54
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(dimethylamino)-1-phenylpropoxy]-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 121407591
3-methoxy-4-[[methyl(pyridin-2-yl)amino]methyl]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 121407785
3-methoxy-4-(2-morpholin-4-yl-1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 121407492
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1398313
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
CID 2047594
4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
CID 63356926
1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone
CID 75392153
3-methoxy-N-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-[(1S)-1-phenylethoxy]benzamide
CID 121407489
3,4,5-trimethoxy-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45012563
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1086871
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide
CID 55792414
3-methoxy-N-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-[(1S)-1-pyridin-3-ylethoxy]benzamide
CID 121407622

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide?
The IUPAC name of 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide (CID 121407776) is 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide.
What is the SMILES notation for 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide?
The canonical SMILES for 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide is COc1cc(C(=O)Nc2nnc(-c3ccncc3)s2)ccc1OC1CCCc2ccccc21.
What is the InChIKey of 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide?
The InChIKey is UMTYGLGTYOEZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-31-22-15-18(23(30)27-25-29-28-24(33-25)17-11-13-26-14-12-17)9-10-21(22)32-20-8-4-6-16-5-2-3-7-19(16)20/h2-3,5,7,9-15,20H,4,6,8H2,1H3,(H,27,29,30).
What are the key properties of 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide?
3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide has a molecular weight of 458.54 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide is sourced from PubChem (CID 121407776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).