N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide

C16H12N2O3S — CID 2235526

IUPACN-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccco1
InChIInChI=1S/C16H12N2O3S/c19-13-7-2-4-10-11(13)5-1-6-12(10)17-16(22)18-15(20)14-8-3-9-21-14/h1-9,19H,(H2,17,18,20,22)
InChIKeyLUBYNXKDESUSRO-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.27
Rot. Bonds2

About N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide

N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide (PubChem CID 2235526) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
PubChem CID2235526
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC NameN-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccco1
InChIInChI=1S/C16H12N2O3S/c19-13-7-2-4-10-11(13)5-1-6-12(10)17-16(22)18-15(20)14-8-3-9-21-14/h1-9,19H,(H2,17,18,20,22)
InChIKeyLUBYNXKDESUSRO-UHFFFAOYSA-N
XLogP3.27
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 952249
N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 1125144
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 1344884
N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide
CID 801553
N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)furan-2-carboxamide
CID 739009
N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]furan-2-carboxamide
CID 4631697
5-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 23095039
N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 1226907
4-(furan-2-carbonylcarbamothioylamino)benzoate
CID 6945375
N-[(4-bromo-2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 3322322
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
5-(3-chloro-4-methylphenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 22780591

Frequently Asked Questions

What is the IUPAC name of N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide (CID 2235526) is N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide is O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccco1.
What is the InChIKey of N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide?
The InChIKey is LUBYNXKDESUSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-13-7-2-4-10-11(13)5-1-6-12(10)17-16(22)18-15(20)14-8-3-9-21-14/h1-9,19H,(H2,17,18,20,22).
What are the key properties of N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide?
N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 2235526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).