N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide

C13H18N2O2S — CID 61119528

IUPACN-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2(C(N)=S)CCCC2)c(C)o1
InChIInChI=1S/C13H18N2O2S/c1-8-7-10(9(2)17-8)11(16)15-13(12(14)18)5-3-4-6-13/h7H,3-6H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyUVANBIMMDJUMMI-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.23
Rot. Bonds3

About N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide

N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 61119528) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID61119528
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2(C(N)=S)CCCC2)c(C)o1
InChIInChI=1S/C13H18N2O2S/c1-8-7-10(9(2)17-8)11(16)15-13(12(14)18)5-3-4-6-13/h7H,3-6H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyUVANBIMMDJUMMI-UHFFFAOYSA-N
XLogP2.23
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide
CID 61119738
N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide
CID 61120929
N-(1-carbamothioylcyclopentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670382
N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide
CID 61118946
N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide
CID 107722057
N-(1-carbamothioylcycloheptyl)-2-hydroxy-5-methylbenzamide
CID 61119175
N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide
CID 61119533
N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61120127
2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide
CID 107982246
N-(1-carbamothioylcyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883138
N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 113295147
N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide
CID 61119919

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide (CID 61119528) is N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC2(C(N)=S)CCCC2)c(C)o1.
What is the InChIKey of N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is UVANBIMMDJUMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-8-7-10(9(2)17-8)11(16)15-13(12(14)18)5-3-4-6-13/h7H,3-6H2,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide?
N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 61119528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).