N-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C11H11N3O2S2 — CID 2532444

IUPACN-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nncs1
InChIInChI=1S/C11H11N3O2S2/c1-16-9-5-3-2-4-8(9)13-10(15)6-17-11-14-12-7-18-11/h2-5,7H,6H2,1H3,(H,13,15)
InChIKeyPBBAUXZRWYVRTH-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.28
Rot. Bonds5

About N-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 2532444) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID2532444
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC NameN-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nncs1
InChIInChI=1S/C11H11N3O2S2/c1-16-9-5-3-2-4-8(9)13-10(15)6-17-11-14-12-7-18-11/h2-5,7H,6H2,1H3,(H,13,15)
InChIKeyPBBAUXZRWYVRTH-UHFFFAOYSA-N
XLogP2.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 6172966
3-(2-Methoxyphenyl)-1,3-thiazolidine-2-carboxamide
CID 606565
5-(2-Methoxy-phenylamino)-3-phenyl-thiazolidine-2,4-dione
CID 649284
carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester
CID 224935
3-(2-Methoxy-phenyl)-2-thioxo-thiazolidin-4-one
CID 292895
N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 845562
2-[(5-Amino-1,3,4-thiadiazol-2-yl)thio]-N-(4-methoxyphenyl)acetamide
CID 698766
3-(o-Ethoxyphenyl)-rhodanine
CID 98906
N-(2-Methoxy-phenyl)-2-(5-methyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 646270
N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 665963
N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2292924
CID 2452101
CID 2452101

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 2532444) is N-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is COc1ccccc1NC(=O)CSc1nncs1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is PBBAUXZRWYVRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c1-16-9-5-3-2-4-8(9)13-10(15)6-17-11-14-12-7-18-11/h2-5,7H,6H2,1H3,(H,13,15).
What are the key properties of N-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 281.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2532444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).