N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide

C13H14N4O2S2 — CID 30550797

IUPACN-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSCC(=O)Nc2nncs2)c1
InChIInChI=1S/C13H14N4O2S2/c1-9-3-2-4-10(5-9)15-11(18)6-20-7-12(19)16-13-17-14-8-21-13/h2-5,8H,6-7H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyUTEGXWAZLPYGAE-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.16
Rot. Bonds6

About N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide

N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide (PubChem CID 30550797) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide
PubChem CID30550797
Molecular FormulaC13H14N4O2S2
Molecular Weight322.42 g/mol
Exact Mass322.06
IUPAC NameN-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSCC(=O)Nc2nncs2)c1
InChIInChI=1S/C13H14N4O2S2/c1-9-3-2-4-10(5-9)15-11(18)6-20-7-12(19)16-13-17-14-8-21-13/h2-5,8H,6-7H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyUTEGXWAZLPYGAE-UHFFFAOYSA-N
XLogP2.16
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide?
The IUPAC name of N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide (CID 30550797) is N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide is Cc1cccc(NC(=O)CSCC(=O)Nc2nncs2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide?
The InChIKey is UTEGXWAZLPYGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c1-9-3-2-4-10(5-9)15-11(18)6-20-7-12(19)16-13-17-14-8-21-13/h2-5,8H,6-7H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide?
N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide has a molecular weight of 322.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide is sourced from PubChem (CID 30550797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).