4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide

C14H22N4OS2 — CID 65205073

IUPAC4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C14H22N4OS2/c1-13(2,3)10-9(21-18-17-10)11(19)16-14(12(15)20)7-5-4-6-8-14/h4-8H2,1-3H3,(H2,15,20)(H,16,19)
InChIKeyKRVPWOQKEZGPMD-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.55
Rot. Bonds3

About 4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide

4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide (PubChem CID 65205073) has the molecular formula C14H22N4OS2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide
PubChem CID65205073
Molecular FormulaC14H22N4OS2
Molecular Weight326.49 g/mol
Exact Mass326.12
IUPAC Name4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C14H22N4OS2/c1-13(2,3)10-9(21-18-17-10)11(19)16-14(12(15)20)7-5-4-6-8-14/h4-8H2,1-3H3,(H2,15,20)(H,16,19)
InChIKeyKRVPWOQKEZGPMD-UHFFFAOYSA-N
XLogP2.55
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide 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

1-[(4-tert-butylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 65206264
4-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxane-4-carboxylic acid
CID 115291629
4-tert-butyl-N-[[1-(chloromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide
CID 103969563
N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide
CID 115303345
N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide
CID 65216316
N-(1-carbamothioylcyclooctyl)thiadiazole-4-carboxamide
CID 65216374
1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113311960
N-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65205324
1-tert-butyl-3-(1-carbamothioylcyclooctyl)urea
CID 61122375
N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide
CID 61121119
N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120336
4-tert-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]thiadiazole-5-carboxamide
CID 107866649

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide (CID 65205073) is 4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide is CC(C)(C)c1nnsc1C(=O)NC1(C(N)=S)CCCCC1.
What is the InChIKey of 4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide?
The InChIKey is KRVPWOQKEZGPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS2/c1-13(2,3)10-9(21-18-17-10)11(19)16-14(12(15)20)7-5-4-6-8-14/h4-8H2,1-3H3,(H2,15,20)(H,16,19).
What are the key properties of 4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide?
4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide has a molecular weight of 326.49 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65205073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).