N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide

C11H16N4OS2 — CID 65216316

IUPACN-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide
SMILESNC(=S)C1(NC(=O)c2csnn2)CCCCCC1
InChIInChI=1S/C11H16N4OS2/c12-10(17)11(5-3-1-2-4-6-11)13-9(16)8-7-18-15-14-8/h7H,1-6H2,(H2,12,17)(H,13,16)
InChIKeyOELAAWLHGRZHRL-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.65
Rot. Bonds3

About N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide

N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide (PubChem CID 65216316) has the molecular formula C11H16N4OS2 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide
PubChem CID65216316
Molecular FormulaC11H16N4OS2
Molecular Weight284.41 g/mol
Exact Mass284.08
IUPAC NameN-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide
SMILESNC(=S)C1(NC(=O)c2csnn2)CCCCCC1
InChIInChI=1S/C11H16N4OS2/c12-10(17)11(5-3-1-2-4-6-11)13-9(16)8-7-18-15-14-8/h7H,1-6H2,(H2,12,17)(H,13,16)
InChIKeyOELAAWLHGRZHRL-UHFFFAOYSA-N
XLogP1.65
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-carbamothioylcyclooctyl)thiadiazole-4-carboxamide
CID 65216374
N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 63024241
N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide
CID 79693305
N-(1-carbamothioylcycloheptyl)-6-methylpyridine-2-carboxamide
CID 61119375
N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide
CID 61121515
N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide
CID 61118938
(thiadiazole-4-carbonylamino)thiourea
CID 65216202
N-(1-carbamothioylcyclooctyl)-3-methylpyridine-2-carboxamide
CID 62340478
4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide
CID 65205073
N-(1-carbamothioylcycloheptyl)-3-fluorobenzamide
CID 61119189
N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide
CID 61119914
N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide
CID 61119533

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide (CID 65216316) is N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide is NC(=S)C1(NC(=O)c2csnn2)CCCCCC1.
What is the InChIKey of N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide?
The InChIKey is OELAAWLHGRZHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS2/c12-10(17)11(5-3-1-2-4-6-11)13-9(16)8-7-18-15-14-8/h7H,1-6H2,(H2,12,17)(H,13,16).
What are the key properties of N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide?
N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide has a molecular weight of 284.41 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 65216316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).