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

C8H13N5O3S2 — CID 7969270

IUPACN-carbamoyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCOCCNc1nnc(SCC(=O)NC(N)=O)s1
InChIInChI=1S/C8H13N5O3S2/c1-16-3-2-10-7-12-13-8(18-7)17-4-5(14)11-6(9)15/h2-4H2,1H3,(H,10,12)(H3,9,11,14,15)
InChIKeyYFSKFPJOXOYFML-UHFFFAOYSA-N
MW291.36 g/mol
LogP-0.12
Rot. Bonds7

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

N-carbamoyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 7969270) has the molecular formula C8H13N5O3S2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-carbamoyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID7969270
Molecular FormulaC8H13N5O3S2
Molecular Weight291.36 g/mol
Exact Mass291.05
IUPAC NameN-carbamoyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCOCCNc1nnc(SCC(=O)NC(N)=O)s1
InChIInChI=1S/C8H13N5O3S2/c1-16-3-2-10-7-12-13-8(18-7)17-4-5(14)11-6(9)15/h2-4H2,1H3,(H,10,12)(H3,9,11,14,15)
InChIKeyYFSKFPJOXOYFML-UHFFFAOYSA-N
XLogP-0.12
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-carbamoyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 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-carbamoyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-carbamoyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 7969270) is N-carbamoyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-carbamoyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is COCCNc1nnc(SCC(=O)NC(N)=O)s1.
What is the InChIKey of N-carbamoyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is YFSKFPJOXOYFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3S2/c1-16-3-2-10-7-12-13-8(18-7)17-4-5(14)11-6(9)15/h2-4H2,1H3,(H,10,12)(H3,9,11,14,15).
What are the key properties of N-carbamoyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-carbamoyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 291.36 g/mol, XLogP of -0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 7969270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).