N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide

C15H19N3O2S — CID 879284

IUPACN-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCc1cccc(OCc2nnc(NC(=O)C(C)C)s2)c1C
InChIInChI=1S/C15H19N3O2S/c1-9(2)14(19)16-15-18-17-13(21-15)8-20-12-7-5-6-10(3)11(12)4/h5-7,9H,8H2,1-4H3,(H,16,18,19)
InChIKeyRRCSGVZDSGVZLP-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.33
Rot. Bonds5

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

N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (PubChem CID 879284) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
PubChem CID879284
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCc1cccc(OCc2nnc(NC(=O)C(C)C)s2)c1C
InChIInChI=1S/C15H19N3O2S/c1-9(2)14(19)16-15-18-17-13(21-15)8-20-12-7-5-6-10(3)11(12)4/h5-7,9H,8H2,1-4H3,(H,16,18,19)
InChIKeyRRCSGVZDSGVZLP-UHFFFAOYSA-N
XLogP3.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 921879
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1382193
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 734582
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 19178772
4-chloro-N-[5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 11078884
2-(2,3-dimethylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 44791662
(2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 38928174
1-[5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-chlorophenyl)urea
CID 1420043
[5-[(3-methyl-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613612
3,4-dimethyl-N-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 35213118
2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole
CID 103825960
1-[5-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
CID 1335272

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (CID 879284) is N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is Cc1cccc(OCc2nnc(NC(=O)C(C)C)s2)c1C.
What is the InChIKey of N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The InChIKey is RRCSGVZDSGVZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9(2)14(19)16-15-18-17-13(21-15)8-20-12-7-5-6-10(3)11(12)4/h5-7,9H,8H2,1-4H3,(H,16,18,19).
What are the key properties of N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide has a molecular weight of 305.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 879284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).