N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide

C11H11N3O2S — CID 665459

IUPACN-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccccc1-c1nnc(NC(C)=O)s1
InChIInChI=1S/C11H11N3O2S/c1-7(15)12-11-14-13-10(17-11)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H,12,14,15)
InChIKeyOUNURTKDWRFINH-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.17
Rot. Bonds3

About N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 665459) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID665459
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccccc1-c1nnc(NC(C)=O)s1
InChIInChI=1S/C11H11N3O2S/c1-7(15)12-11-14-13-10(17-11)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H,12,14,15)
InChIKeyOUNURTKDWRFINH-UHFFFAOYSA-N
XLogP2.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 1382112
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}pentanamide
CID 5925639
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 6243506
5-(2-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 748318
N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929487
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2078271
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 5912559
2-methylpropyl [(2E)-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
CID 665124
methyl [(2Z)-5-(4-methoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
CID 666511
N-[5-(4-Fluoro-phenyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-benzamide
CID 741043

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 665459) is N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is COc1ccccc1-c1nnc(NC(C)=O)s1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is OUNURTKDWRFINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7(15)12-11-14-13-10(17-11)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H,12,14,15).
What are the key properties of N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 249.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 665459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).