N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide

C11H13IN2OS2 — CID 79693305

IUPACN-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide
SMILESNC(=S)C1(NC(=O)c2csc(I)c2)CCCC1
InChIInChI=1S/C11H13IN2OS2/c12-8-5-7(6-17-8)9(15)14-11(10(13)16)3-1-2-4-11/h5-6H,1-4H2,(H2,13,16)(H,14,15)
InChIKeyWDEDUYZEFJKOPH-UHFFFAOYSA-N
MW380.28 g/mol
LogP2.68
Rot. Bonds3

About N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide

N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide (PubChem CID 79693305) has the molecular formula C11H13IN2OS2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide
PubChem CID79693305
Molecular FormulaC11H13IN2OS2
Molecular Weight380.28 g/mol
Exact Mass379.95
IUPAC NameN-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide
SMILESNC(=S)C1(NC(=O)c2csc(I)c2)CCCC1
InChIInChI=1S/C11H13IN2OS2/c12-8-5-7(6-17-8)9(15)14-11(10(13)16)3-1-2-4-11/h5-6H,1-4H2,(H2,13,16)(H,14,15)
InChIKeyWDEDUYZEFJKOPH-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide
CID 79684643
N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide
CID 65216316
N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide
CID 61121515
N-(1-carbamothioylcyclooctyl)thiadiazole-4-carboxamide
CID 65216374
N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide
CID 61119914
N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide
CID 78950202
N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide
CID 78949949
N-(1-carbamothioylcycloheptyl)-3-fluorobenzamide
CID 61119189
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-5-iodothiophene-3-carboxamide
CID 79684560
N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 63024241
1-[(5-iodothiophene-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 79686107
N-(4-carbamothioylphenyl)-5-iodothiophene-3-carboxamide
CID 79693852

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide (CID 79693305) is N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide is NC(=S)C1(NC(=O)c2csc(I)c2)CCCC1.
What is the InChIKey of N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide?
The InChIKey is WDEDUYZEFJKOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2OS2/c12-8-5-7(6-17-8)9(15)14-11(10(13)16)3-1-2-4-11/h5-6H,1-4H2,(H2,13,16)(H,14,15).
What are the key properties of N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide?
N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide has a molecular weight of 380.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79693305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).