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

C16H19N3O2S — CID 653963

IUPACN-(2-methoxyethyl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESCOCCN(C(=O)C1CC1)c1nnc(-c2cccc(C)c2)s1
InChIInChI=1S/C16H19N3O2S/c1-11-4-3-5-13(10-11)14-17-18-16(22-14)19(8-9-21-2)15(20)12-6-7-12/h3-5,10,12H,6-9H2,1-2H3
InChIKeyJLVIQNRNQLQFAS-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.90
Rot. Bonds6

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

N-(2-methoxyethyl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 653963) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
PubChem CID653963
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(2-methoxyethyl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESCOCCN(C(=O)C1CC1)c1nnc(-c2cccc(C)c2)s1
InChIInChI=1S/C16H19N3O2S/c1-11-4-3-5-13(10-11)14-17-18-16(22-14)19(8-9-21-2)15(20)12-6-7-12/h3-5,10,12H,6-9H2,1-2H3
InChIKeyJLVIQNRNQLQFAS-UHFFFAOYSA-N
XLogP2.90
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyethyl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Methoxy-ethyl)-N-(5-m-tolyl-[1,3,4]thiadiazol-2-yl)-isobutyramide
CID 652198
N-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 3230576
N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 70685212
N-Cyclopentyl-N-(5-m-tolyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1444777
N-(2-Methoxy-ethyl)-N-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-isobutyramide
CID 3212634
N-(2-methoxyethyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 3212635
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 3212659
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide
CID 1451549
N-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 1444702
N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 1444708
N-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 1444715
N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 1444784

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (CID 653963) is N-(2-methoxyethyl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is COCCN(C(=O)C1CC1)c1nnc(-c2cccc(C)c2)s1.
What is the InChIKey of N-(2-methoxyethyl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is JLVIQNRNQLQFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-4-3-5-13(10-11)14-17-18-16(22-14)19(8-9-21-2)15(20)12-6-7-12/h3-5,10,12H,6-9H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
N-(2-methoxyethyl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.90, 6 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-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 653963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).