N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide

C15H19N3O2S — CID 110439612

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide
SMILESCCc1nnc(NC(=O)C(C)(C)c2ccccc2OC)s1
InChIInChI=1S/C15H19N3O2S/c1-5-12-17-18-14(21-12)16-13(19)15(2,3)10-8-6-7-9-11(10)20-4/h6-9H,5H2,1-4H3,(H,16,18,19)
InChIKeyRLIJQLUXMLSOPU-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.03
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide (PubChem CID 110439612) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide
PubChem CID110439612
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide
SMILESCCc1nnc(NC(=O)C(C)(C)c2ccccc2OC)s1
InChIInChI=1S/C15H19N3O2S/c1-5-12-17-18-14(21-12)16-13(19)15(2,3)10-8-6-7-9-11(10)20-4/h6-9H,5H2,1-4H3,(H,16,18,19)
InChIKeyRLIJQLUXMLSOPU-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 881043
2-(2-methoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110439598
N-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438838
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 82546736
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide
CID 4145587
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 777660
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 6621602
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 847029
2-methyl-N-[5-[4-[5-[(2-methyl-2-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylpropanamide
CID 90165486
(E)-3-(2,3-dimethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 8017432
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438825

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide (CID 110439612) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide is CCc1nnc(NC(=O)C(C)(C)c2ccccc2OC)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide?
The InChIKey is RLIJQLUXMLSOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-5-12-17-18-14(21-12)16-13(19)15(2,3)10-8-6-7-9-11(10)20-4/h6-9H,5H2,1-4H3,(H,16,18,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide has a molecular weight of 305.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 110439612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).