N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C13H15N3O3S2 — CID 645696

IUPACN-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSc2nnc(C)s2)cc(OC)c1
InChIInChI=1S/C13H15N3O3S2/c1-8-15-16-13(21-8)20-7-12(17)14-9-4-10(18-2)6-11(5-9)19-3/h4-6H,7H2,1-3H3,(H,14,17)
InChIKeySFIXLENEXLAUMN-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.59
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 645696) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID645696
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSc2nnc(C)s2)cc(OC)c1
InChIInChI=1S/C13H15N3O3S2/c1-8-15-16-13(21-8)20-7-12(17)14-9-4-10(18-2)6-11(5-9)19-3/h4-6H,7H2,1-3H3,(H,14,17)
InChIKeySFIXLENEXLAUMN-UHFFFAOYSA-N
XLogP2.59
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 645696) is N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is COc1cc(NC(=O)CSc2nnc(C)s2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is SFIXLENEXLAUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-8-15-16-13(21-8)20-7-12(17)14-9-4-10(18-2)6-11(5-9)19-3/h4-6H,7H2,1-3H3,(H,14,17).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 325.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 645696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).