2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide

C15H25N5O2S2 — CID 18578444

IUPAC2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide
SMILESCC(C)(C)NC(=O)Nc1nnc(SCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C15H25N5O2S2/c1-15(2,3)18-12(22)17-13-19-20-14(24-13)23-9-11(21)16-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,16,21)(H2,17,18,19,22)
InChIKeyFHBLCIQQHJFIMU-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.00
Rot. Bonds5

About 2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide

2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide (PubChem CID 18578444) has the molecular formula C15H25N5O2S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide
PubChem CID18578444
Molecular FormulaC15H25N5O2S2
Molecular Weight371.53 g/mol
Exact Mass371.14
IUPAC Name2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide
SMILESCC(C)(C)NC(=O)Nc1nnc(SCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C15H25N5O2S2/c1-15(2,3)18-12(22)17-13-19-20-14(24-13)23-9-11(21)16-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,16,21)(H2,17,18,19,22)
InChIKeyFHBLCIQQHJFIMU-UHFFFAOYSA-N
XLogP3.00
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide 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 2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide (CID 18578444) is 2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide is CC(C)(C)NC(=O)Nc1nnc(SCC(=O)NC2CCCCC2)s1.
What is the InChIKey of 2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide?
The InChIKey is FHBLCIQQHJFIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S2/c1-15(2,3)18-12(22)17-13-19-20-14(24-13)23-9-11(21)16-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,16,21)(H2,17,18,19,22).
What are the key properties of 2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide?
2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide has a molecular weight of 371.53 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide is sourced from PubChem (CID 18578444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).