N-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C10H16N4O2S2 — CID 2532159

IUPACN-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CSc1nncs1
InChIInChI=1S/C10H16N4O2S2/c1-7(2)3-4-11-9(16)13-8(15)5-17-10-14-12-6-18-10/h6-7H,3-5H2,1-2H3,(H2,11,13,15,16)
InChIKeyWRWXBQFHUPERSP-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.50
Rot. Bonds6

About N-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 2532159) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID2532159
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC NameN-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CSc1nncs1
InChIInChI=1S/C10H16N4O2S2/c1-7(2)3-4-11-9(16)13-8(15)5-17-10-14-12-6-18-10/h6-7H,3-5H2,1-2H3,(H2,11,13,15,16)
InChIKeyWRWXBQFHUPERSP-UHFFFAOYSA-N
XLogP1.50
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide
CID 18101310
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 42903493
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide
CID 2586416
N-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 47115885
2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 106678468
2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide
CID 16531231
N-(3,5-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532387
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 79126761
N-(3-methylbutylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8658997
N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46803104
N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide
CID 2532520
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 79128676

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 2532159) is N-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is CC(C)CCNC(=O)NC(=O)CSc1nncs1.
What is the InChIKey of N-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is WRWXBQFHUPERSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c1-7(2)3-4-11-9(16)13-8(15)5-17-10-14-12-6-18-10/h6-7H,3-5H2,1-2H3,(H2,11,13,15,16).
What are the key properties of N-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 288.40 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2532159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).