3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide

C16H14N4O3S — CID 25349706

IUPAC3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nncs2)ccc1OCc1ccncc1
InChIInChI=1S/C16H14N4O3S/c1-22-14-8-12(15(21)19-16-20-18-10-24-16)2-3-13(14)23-9-11-4-6-17-7-5-11/h2-8,10H,9H2,1H3,(H,19,20,21)
InChIKeyQRFRPBMYTVLUBI-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.77
Rot. Bonds6

About 3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide

3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 25349706) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID25349706
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nncs2)ccc1OCc1ccncc1
InChIInChI=1S/C16H14N4O3S/c1-22-14-8-12(15(21)19-16-20-18-10-24-16)2-3-13(14)23-9-11-4-6-17-7-5-11/h2-8,10H,9H2,1H3,(H,19,20,21)
InChIKeyQRFRPBMYTVLUBI-UHFFFAOYSA-N
XLogP2.77
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25345669
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-phenylmethoxybenzamide
CID 2463682
3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide
CID 30798544
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
CID 31816152
4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide
CID 25344200
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 26045727
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135
3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427791
N-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide
CID 143408520
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 25349706) is 3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nncs2)ccc1OCc1ccncc1.
What is the InChIKey of 3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is QRFRPBMYTVLUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-22-14-8-12(15(21)19-16-20-18-10-24-16)2-3-13(14)23-9-11-4-6-17-7-5-11/h2-8,10H,9H2,1H3,(H,19,20,21).
What are the key properties of 3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 342.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 25349706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).