N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide

C12H16N2O2S — CID 62956749

IUPACN-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCCC2C(N)=S)o1
InChIInChI=1S/C12H16N2O2S/c1-7-5-6-10(16-7)12(15)14-9-4-2-3-8(9)11(13)17/h5-6,8-9H,2-4H2,1H3,(H2,13,17)(H,14,15)
InChIKeySFNHAYOJXISAQQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.77
Rot. Bonds3

About N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide

N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide (PubChem CID 62956749) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide
PubChem CID62956749
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCCC2C(N)=S)o1
InChIInChI=1S/C12H16N2O2S/c1-7-5-6-10(16-7)12(15)14-9-4-2-3-8(9)11(13)17/h5-6,8-9H,2-4H2,1H3,(H2,13,17)(H,14,15)
InChIKeySFNHAYOJXISAQQ-UHFFFAOYSA-N
XLogP1.77
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.77
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-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide
CID 62955877
N-[2-(hydroxymethyl)cyclopentyl]-5-methylfuran-2-carboxamide
CID 103759065
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450
N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide
CID 27459810
N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide
CID 62955535
N-(2-cyanocyclopentyl)-5-methylfuran-2-carboxamide
CID 62961798
N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide
CID 62955876
N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829545
2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide
CID 62955197
N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide
CID 62956929
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-5-methylfuran-2-carboxamide
CID 61123403
N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide
CID 81446340

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide (CID 62956749) is N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NC2CCCC2C(N)=S)o1.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide?
The InChIKey is SFNHAYOJXISAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-7-5-6-10(16-7)12(15)14-9-4-2-3-8(9)11(13)17/h5-6,8-9H,2-4H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide?
N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 62956749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).