N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide

C13H15N3O2S2 — CID 649650

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCOCc1nnc(NC(=O)CSc2ccc(C)cc2)s1
InChIInChI=1S/C13H15N3O2S2/c1-9-3-5-10(6-4-9)19-8-11(17)14-13-16-15-12(20-13)7-18-2/h3-6H,7-8H2,1-2H3,(H,14,16,17)
InChIKeyULIGLIHRSYBAPR-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.72
Rot. Bonds6

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 649650) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID649650
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCOCc1nnc(NC(=O)CSc2ccc(C)cc2)s1
InChIInChI=1S/C13H15N3O2S2/c1-9-3-5-10(6-4-9)19-8-11(17)14-13-16-15-12(20-13)7-18-2/h3-6H,7-8H2,1-2H3,(H,14,16,17)
InChIKeyULIGLIHRSYBAPR-UHFFFAOYSA-N
XLogP2.72
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide (CID 649650) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide is COCc1nnc(NC(=O)CSc2ccc(C)cc2)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is ULIGLIHRSYBAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-9-3-5-10(6-4-9)19-8-11(17)14-13-16-15-12(20-13)7-18-2/h3-6H,7-8H2,1-2H3,(H,14,16,17).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 309.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 649650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).