N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pentanamide

C17H23N3O3S — CID 650738

IUPACN-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)N(CCOC)c1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C17H23N3O3S/c1-4-5-6-15(21)20(11-12-22-2)17-19-18-16(24-17)13-7-9-14(23-3)10-8-13/h7-10H,4-6,11-12H2,1-3H3
InChIKeyUUTWLHLFZDUCON-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.38
Rot. Bonds9

About N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pentanamide

N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pentanamide (PubChem CID 650738) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
PubChem CID650738
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)N(CCOC)c1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C17H23N3O3S/c1-4-5-6-15(21)20(11-12-22-2)17-19-18-16(24-17)13-7-9-14(23-3)10-8-13/h7-10H,4-6,11-12H2,1-3H3
InChIKeyUUTWLHLFZDUCON-UHFFFAOYSA-N
XLogP3.38
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 1400473
2-(4-Ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 53324466
Cyclobutanecarboxylic acid [5-(4-ethoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-ethyl-amide
CID 650155
Tetrahydro-furan-3-carboxylic acid [5-(3-methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-methyl-amide
CID 655182
2-Fluoro-N-(2-methoxy-ethyl)-N-[5-(4-methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-benzamide
CID 3212707
Tetrahydro-furan-2-carboxylic acid [5-(4-methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-methyl-amide
CID 3231189
Tetrahydro-furan-3-carboxylic acid [5-(4-methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-methyl-amide
CID 3231190
N'-hydroxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide
CID 118716285
N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methoxyphenyl)methyl]butanediamide
CID 944993
N-[(4-methoxyphenyl)methyl]-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1423406
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methyloxolane-2-carboxamide
CID 650758
N-[5-(4-Methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-N-methyl-butyramide
CID 655904

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The IUPAC name of N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pentanamide (CID 650738) is N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pentanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pentanamide is CCCCC(=O)N(CCOC)c1nnc(-c2ccc(OC)cc2)s1.
What is the InChIKey of N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The InChIKey is UUTWLHLFZDUCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-4-5-6-15(21)20(11-12-22-2)17-19-18-16(24-17)13-7-9-14(23-3)10-8-13/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pentanamide?
N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pentanamide has a molecular weight of 349.46 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pentanamide is sourced from PubChem (CID 650738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).