2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

C19H19N3O3S — CID 1094111

IUPAC2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)c(OC)c1
InChIInChI=1S/C19H19N3O3S/c1-24-14-9-10-15(16(12-14)25-2)18(23)20-19-22-21-17(26-19)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,22,23)
InChIKeyCNQKXOSQLCMWGP-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.59
Rot. Bonds7

About 2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 1094111) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID1094111
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)c(OC)c1
InChIInChI=1S/C19H19N3O3S/c1-24-14-9-10-15(16(12-14)25-2)18(23)20-19-22-21-17(26-19)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,22,23)
InChIKeyCNQKXOSQLCMWGP-UHFFFAOYSA-N
XLogP3.59
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 777611
2-methoxy-4-(methylthio)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1094114
4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 794237
ethyl [(5E)-5-{[(2-methoxyphenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
CID 665316
2-fluoro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 697520
N-[5-(4-Fluoro-phenyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-benzamide
CID 741043
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 745396
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 869015
2,6-dimethoxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1150758
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 1451418
2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1451530
(4-methoxyphenyl)-N-{5-[2-(2-{5-[(4-methoxyphenyl)carbonylamino](1,3,4-thiadia zol-2-yl)}ethylthio)ethyl](1,3,4-thiadiazol-2-yl)}carboxamide
CID 3100995

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 1094111) is 2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is CNQKXOSQLCMWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-14-9-10-15(16(12-14)25-2)18(23)20-19-22-21-17(26-19)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,22,23).
What are the key properties of 2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 369.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 1094111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).