N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide

C18H23N5O3S2 — CID 1036241

IUPACN-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nnc(NC(=O)CN2CCOCC2)s1
InChIInChI=1S/C18H23N5O3S2/c1-12-4-3-5-13(2)16(12)19-15(25)11-27-18-22-21-17(28-18)20-14(24)10-23-6-8-26-9-7-23/h3-5H,6-11H2,1-2H3,(H,19,25)(H,20,21,24)
InChIKeyGKDGJNQRMRQAIL-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.16
Rot. Bonds7

About N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide

N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide (PubChem CID 1036241) has the molecular formula C18H23N5O3S2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide
PubChem CID1036241
Molecular FormulaC18H23N5O3S2
Molecular Weight421.55 g/mol
Exact Mass421.12
IUPAC NameN-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nnc(NC(=O)CN2CCOCC2)s1
InChIInChI=1S/C18H23N5O3S2/c1-12-4-3-5-13(2)16(12)19-15(25)11-27-18-22-21-17(28-18)20-14(24)10-23-6-8-26-9-7-23/h3-5H,6-11H2,1-2H3,(H,19,25)(H,20,21,24)
InChIKeyGKDGJNQRMRQAIL-UHFFFAOYSA-N
XLogP2.16
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide 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-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide (CID 1036241) is N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide is Cc1cccc(C)c1NC(=O)CSc1nnc(NC(=O)CN2CCOCC2)s1.
What is the InChIKey of N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide?
The InChIKey is GKDGJNQRMRQAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S2/c1-12-4-3-5-13(2)16(12)19-15(25)11-27-18-22-21-17(28-18)20-14(24)10-23-6-8-26-9-7-23/h3-5H,6-11H2,1-2H3,(H,19,25)(H,20,21,24).
What are the key properties of N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide?
N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide has a molecular weight of 421.55 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 1036241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).