N-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide

C16H12N2O2S2 — CID 7341264

IUPACN-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc2ccc(O)cc12)c1cccs1
InChIInChI=1S/C16H12N2O2S2/c19-11-7-6-10-3-1-4-13(12(10)9-11)17-16(21)18-15(20)14-5-2-8-22-14/h1-9,19H,(H2,17,18,20,21)
InChIKeyNZMGCUFDGXOZEB-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.73
Rot. Bonds2

About N-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide

N-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 7341264) has the molecular formula C16H12N2O2S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide
PubChem CID7341264
Molecular FormulaC16H12N2O2S2
Molecular Weight328.42 g/mol
Exact Mass328.03
IUPAC NameN-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc2ccc(O)cc12)c1cccs1
InChIInChI=1S/C16H12N2O2S2/c19-11-7-6-10-3-1-4-13(12(10)9-11)17-16(21)18-15(20)14-5-2-8-22-14/h1-9,19H,(H2,17,18,20,21)
InChIKeyNZMGCUFDGXOZEB-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-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide
CID 2223320
N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide
CID 778896
N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 19187822
N-[(3-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 739014
N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4936533
N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17150440
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
N-[(5-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 4937653
N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 19187838
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4933178

Frequently Asked Questions

What is the IUPAC name of N-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide (CID 7341264) is N-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide is O=C(NC(=S)Nc1cccc2ccc(O)cc12)c1cccs1.
What is the InChIKey of N-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is NZMGCUFDGXOZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S2/c19-11-7-6-10-3-1-4-13(12(10)9-11)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-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide?
N-[(7-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-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 7341264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).