N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide

C16H12N2O2S2 — CID 2223320

IUPACN-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc2cc(O)ccc12)c1cccs1
InChIInChI=1S/C16H12N2O2S2/c19-11-6-7-12-10(9-11)3-1-4-13(12)17-16(21)18-15(20)14-5-2-8-22-14/h1-9,19H,(H2,17,18,20,21)
InChIKeyRIIJNOXVAUJTTF-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.73
Rot. Bonds2

About N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide

N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 2223320) has the molecular formula C16H12N2O2S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide
PubChem CID2223320
Molecular FormulaC16H12N2O2S2
Molecular Weight328.42 g/mol
Exact Mass328.03
IUPAC NameN-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc2cc(O)ccc12)c1cccs1
InChIInChI=1S/C16H12N2O2S2/c19-11-6-7-12-10(9-11)3-1-4-13(12)17-16(21)18-15(20)14-5-2-8-22-14/h1-9,19H,(H2,17,18,20,21)
InChIKeyRIIJNOXVAUJTTF-UHFFFAOYSA-N
XLogP3.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.73
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-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide
CID 7341264
5-bromo-2-chloro-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]benzamide
CID 4995634
N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide
CID 778896
(E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide
CID 6152566
5-(4-chlorophenyl)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 4262761
N-[(3-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 739014
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 3896462
N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4936533
N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 19187822
N-(phenylcarbamothioyl)thiophene-2-carboxamide
CID 817333
N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide
CID 1347270
N-[(3-bromophenyl)carbamothioyl]thiophene-2-carboxamide
CID 17099615

Frequently Asked Questions

What is the IUPAC name of N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide (CID 2223320) is N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide is O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1cccs1.
What is the InChIKey of N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is RIIJNOXVAUJTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S2/c19-11-6-7-12-10(9-11)3-1-4-13(12)17-16(21)18-15(20)14-5-2-8-22-14/h1-9,19H,(H2,17,18,20,21).
What are the key properties of N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide?
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 2223320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).