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

C16H21N3O2S — CID 652198

IUPACN-(2-methoxyethyl)-2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOCCN(C(=O)C(C)C)c1nnc(-c2cccc(C)c2)s1
InChIInChI=1S/C16H21N3O2S/c1-11(2)15(20)19(8-9-21-4)16-18-17-14(22-16)13-7-5-6-12(3)10-13/h5-7,10-11H,8-9H2,1-4H3
InChIKeyCKBSAKNGNATORG-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.15
Rot. Bonds6

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

N-(2-methoxyethyl)-2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 652198) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID652198
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-(2-methoxyethyl)-2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOCCN(C(=O)C(C)C)c1nnc(-c2cccc(C)c2)s1
InChIInChI=1S/C16H21N3O2S/c1-11(2)15(20)19(8-9-21-4)16-18-17-14(22-16)13-7-5-6-12(3)10-13/h5-7,10-11H,8-9H2,1-4H3
InChIKeyCKBSAKNGNATORG-UHFFFAOYSA-N
XLogP3.15
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-Cyclopentyl-N-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1444816
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
Cyclopropanecarboxylic acid (2-methoxy-ethyl)-(5-m-tolyl-[1,3,4]thiadiazol-2-yl)-amide
CID 653963
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-methylbutanamide
CID 1451546
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
CID 1451547
N-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 1444702
N-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 1444715

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 652198) is N-(2-methoxyethyl)-2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is COCCN(C(=O)C(C)C)c1nnc(-c2cccc(C)c2)s1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is CKBSAKNGNATORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11(2)15(20)19(8-9-21-4)16-18-17-14(22-16)13-7-5-6-12(3)10-13/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
N-(2-methoxyethyl)-2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 319.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 652198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).