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

C17H23N3O2S — CID 3230576

IUPACN-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)N(CCOC)c1nnc(-c2ccccc2C)s1
InChIInChI=1S/C17H23N3O2S/c1-4-5-10-15(21)20(11-12-22-3)17-19-18-16(23-17)14-9-7-6-8-13(14)2/h6-9H,4-5,10-12H2,1-3H3
InChIKeyNFWQCAHOUSYRPV-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.68
Rot. Bonds8

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

N-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide (PubChem CID 3230576) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
PubChem CID3230576
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)N(CCOC)c1nnc(-c2ccccc2C)s1
InChIInChI=1S/C17H23N3O2S/c1-4-5-10-15(21)20(11-12-22-3)17-19-18-16(23-17)14-9-7-6-8-13(14)2/h6-9H,4-5,10-12H2,1-3H3
InChIKeyNFWQCAHOUSYRPV-UHFFFAOYSA-N
XLogP3.68
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The IUPAC name of N-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide (CID 3230576) is N-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide is CCCCC(=O)N(CCOC)c1nnc(-c2ccccc2C)s1.
What is the InChIKey of N-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The InChIKey is NFWQCAHOUSYRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-5-10-15(21)20(11-12-22-3)17-19-18-16(23-17)14-9-7-6-8-13(14)2/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide?
N-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide has a molecular weight of 333.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide is sourced from PubChem (CID 3230576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).