N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide

C15H19N3O2S — CID 71946146

IUPACN-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(CCOc2cc(C)ccc2C)s1
InChIInChI=1S/C15H19N3O2S/c1-4-13(19)16-15-18-17-14(21-15)7-8-20-12-9-10(2)5-6-11(12)3/h5-6,9H,4,7-8H2,1-3H3,(H,16,18,19)
InChIKeyQJIPRKMCVHDPCK-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.12
Rot. Bonds6

About N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide

N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 71946146) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID71946146
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(CCOc2cc(C)ccc2C)s1
InChIInChI=1S/C15H19N3O2S/c1-4-13(19)16-15-18-17-14(21-15)7-8-20-12-9-10(2)5-6-11(12)3/h5-6,9H,4,7-8H2,1-3H3,(H,16,18,19)
InChIKeyQJIPRKMCVHDPCK-UHFFFAOYSA-N
XLogP3.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 8918792
2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 139565233
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486
4-amino-N-[5-[3-(2,4-dimethylphenoxy)propyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 39182914
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 715604
1-[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea
CID 1387050
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 9192627
2-cyano-3-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 171331474
3-(2,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 7948520
2,2-dimethyl-N-[5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 71946193

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 71946146) is N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(CCOc2cc(C)ccc2C)s1.
What is the InChIKey of N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is QJIPRKMCVHDPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-13(19)16-15-18-17-14(21-15)7-8-20-12-9-10(2)5-6-11(12)3/h5-6,9H,4,7-8H2,1-3H3,(H,16,18,19).
What are the key properties of N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 305.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 71946146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).