N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide

C14H15N3O2S — CID 2669923

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C14H15N3O2S/c1-9-4-2-3-5-11(9)19-8-12(18)15-14-17-16-13(20-14)10-6-7-10/h2-5,10H,6-8H2,1H3,(H,15,17,18)
InChIKeyMTAHAULSPSXDJK-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.74
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide (PubChem CID 2669923) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
PubChem CID2669923
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C14H15N3O2S/c1-9-4-2-3-5-11(9)19-8-12(18)15-14-17-16-13(20-14)10-6-7-10/h2-5,10H,6-8H2,1H3,(H,15,17,18)
InChIKeyMTAHAULSPSXDJK-UHFFFAOYSA-N
XLogP2.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1405517
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 6243506
2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 729595
N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929487
2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2669942
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3876898
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 929485
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-m-tolyloxy-acetamide
CID 6172639
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-p-tolyloxy-acetamide
CID 6230690
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 976078
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-ethoxy-acetamide
CID 648343
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-acetamide
CID 651157

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide (CID 2669923) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide?
The InChIKey is MTAHAULSPSXDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-4-2-3-5-11(9)19-8-12(18)15-14-17-16-13(20-14)10-6-7-10/h2-5,10H,6-8H2,1H3,(H,15,17,18).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide has a molecular weight of 289.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 2669923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).