3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide

C23H19N3O2S2 — CID 5229607

IUPAC3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide
SMILESCCOc1cccc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)c1
InChIInChI=1S/C23H19N3O2S2/c1-2-28-19-9-5-8-18(13-19)21(27)25-22(29)26-23-24-20(14-30-23)17-11-10-15-6-3-4-7-16(15)12-17/h3-14H,2H2,1H3,(H2,24,25,26,27,29)
InChIKeyVWJNZNPYUSBMAQ-UHFFFAOYSA-N
MW433.56 g/mol
LogP5.49
Rot. Bonds5

About 3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide

3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide (PubChem CID 5229607) has the molecular formula C23H19N3O2S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide
PubChem CID5229607
Molecular FormulaC23H19N3O2S2
Molecular Weight433.56 g/mol
Exact Mass433.09
IUPAC Name3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide
SMILESCCOc1cccc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)c1
InChIInChI=1S/C23H19N3O2S2/c1-2-28-19-9-5-8-18(13-19)21(27)25-22(29)26-23-24-20(14-30-23)17-11-10-15-6-3-4-7-16(15)12-17/h3-14H,2H2,1H3,(H2,24,25,26,27,29)
InChIKeyVWJNZNPYUSBMAQ-UHFFFAOYSA-N
XLogP5.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 1018432
N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-ethoxybenzamide
CID 5230366
3-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 2283270
3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 3524855
N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide
CID 17100090
N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]naphthalene-2-carboxamide
CID 4527893
3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 5147525
1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea
CID 108781601
3-bromo-4-ethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 2282968
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
3-ethylsulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 41028556
5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide
CID 17114045

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide?
The IUPAC name of 3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide (CID 5229607) is 3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide is CCOc1cccc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)c1.
What is the InChIKey of 3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide?
The InChIKey is VWJNZNPYUSBMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S2/c1-2-28-19-9-5-8-18(13-19)21(27)25-22(29)26-23-24-20(14-30-23)17-11-10-15-6-3-4-7-16(15)12-17/h3-14H,2H2,1H3,(H2,24,25,26,27,29).
What are the key properties of 3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide?
3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide has a molecular weight of 433.56 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide is sourced from PubChem (CID 5229607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).