N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide

C11H15N3OS2 — CID 63024241

IUPACN-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESNC(=S)C1(NC(=O)c2cscn2)CCCCC1
InChIInChI=1S/C11H15N3OS2/c12-10(16)11(4-2-1-3-5-11)14-9(15)8-6-17-7-13-8/h6-7H,1-5H2,(H2,12,16)(H,14,15)
InChIKeyQGWSRUHVSZDJHY-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.86
Rot. Bonds3

About N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide

N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide (PubChem CID 63024241) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide
PubChem CID63024241
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC NameN-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESNC(=S)C1(NC(=O)c2cscn2)CCCCC1
InChIInChI=1S/C11H15N3OS2/c12-10(16)11(4-2-1-3-5-11)14-9(15)8-6-17-7-13-8/h6-7H,1-5H2,(H2,12,16)(H,14,15)
InChIKeyQGWSRUHVSZDJHY-UHFFFAOYSA-N
XLogP1.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide
CID 65216316
N-(1-carbamothioylcyclooctyl)thiadiazole-4-carboxamide
CID 65216374
2-[1-(1,3-thiazole-4-carbonylamino)cyclopentyl]acetic acid
CID 64671214
N-(1-carbamothioylcycloheptyl)-6-methylpyridine-2-carboxamide
CID 61119375
N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide
CID 61121515
N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide
CID 79693305
N-(1-carbamothioylcyclooctyl)-3-methylpyridine-2-carboxamide
CID 62340478
N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide
CID 61119914
N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide
CID 61119533
N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide
CID 61118938
4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide
CID 107161029
N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide
CID 61119738

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide (CID 63024241) is N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide is NC(=S)C1(NC(=O)c2cscn2)CCCCC1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QGWSRUHVSZDJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c12-10(16)11(4-2-1-3-5-11)14-9(15)8-6-17-7-13-8/h6-7H,1-5H2,(H2,12,16)(H,14,15).
What are the key properties of N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide?
N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63024241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).