N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide

C13H16N2O3S — CID 107722057

IUPACN-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide
SMILESNC(=S)C1(NC(=O)c2ccc(O)cc2O)CCCC1
InChIInChI=1S/C13H16N2O3S/c14-12(19)13(5-1-2-6-13)15-11(18)9-4-3-8(16)7-10(9)17/h3-4,7,16-17H,1-2,5-6H2,(H2,14,19)(H,15,18)
InChIKeyIRCPDEWGTBJITE-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.43
Rot. Bonds3

About N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide

N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide (PubChem CID 107722057) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide
PubChem CID107722057
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide
SMILESNC(=S)C1(NC(=O)c2ccc(O)cc2O)CCCC1
InChIInChI=1S/C13H16N2O3S/c14-12(19)13(5-1-2-6-13)15-11(18)9-4-3-8(16)7-10(9)17/h3-4,7,16-17H,1-2,5-6H2,(H2,14,19)(H,15,18)
InChIKeyIRCPDEWGTBJITE-UHFFFAOYSA-N
XLogP1.43
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide
CID 61120929
N-(1-carbamothioylcycloheptyl)-2-hydroxy-5-methylbenzamide
CID 61119175
N-(1-carbamothioylcyclopentyl)-2,3,4-trifluorobenzamide
CID 79749223
N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide
CID 61118946
N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide
CID 107726341
4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide
CID 61118936
N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide
CID 61119919
N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide
CID 61119528
N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide
CID 61119738
N-(1-carbamothioylcycloheptyl)-3-chloro-4-hydroxybenzamide
CID 61119183
N-(1-carbamothioylcyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883138
2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 113368387

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide?
The IUPAC name of N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide (CID 107722057) is N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide.
What is the SMILES notation for N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide?
The canonical SMILES for N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide is NC(=S)C1(NC(=O)c2ccc(O)cc2O)CCCC1.
What is the InChIKey of N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide?
The InChIKey is IRCPDEWGTBJITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c14-12(19)13(5-1-2-6-13)15-11(18)9-4-3-8(16)7-10(9)17/h3-4,7,16-17H,1-2,5-6H2,(H2,14,19)(H,15,18).
What are the key properties of N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide?
N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide has a molecular weight of 280.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide is sourced from PubChem (CID 107722057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).