3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide

C10H8N2OS2 — CID 18923065

IUPAC3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide
SMILESNC(=O)c1cccc(-c2csc(=S)[nH]2)c1
InChIInChI=1S/C10H8N2OS2/c11-9(13)7-3-1-2-6(4-7)8-5-15-10(14)12-8/h1-5H,(H2,11,13)(H,12,14)
InChIKeySQLFVMITNULICG-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.57
Rot. Bonds2

About 3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide

3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide (PubChem CID 18923065) has the molecular formula C10H8N2OS2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide
PubChem CID18923065
Molecular FormulaC10H8N2OS2
Molecular Weight236.32 g/mol
Exact Mass236.01
IUPAC Name3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide
SMILESNC(=O)c1cccc(-c2csc(=S)[nH]2)c1
InChIInChI=1S/C10H8N2OS2/c11-9(13)7-3-1-2-6(4-7)8-5-15-10(14)12-8/h1-5H,(H2,11,13)(H,12,14)
InChIKeySQLFVMITNULICG-UHFFFAOYSA-N
XLogP2.57
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide?
The IUPAC name of 3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide (CID 18923065) is 3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for 3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for 3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide is NC(=O)c1cccc(-c2csc(=S)[nH]2)c1.
What is the InChIKey of 3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide?
The InChIKey is SQLFVMITNULICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS2/c11-9(13)7-3-1-2-6(4-7)8-5-15-10(14)12-8/h1-5H,(H2,11,13)(H,12,14).
What are the key properties of 3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide?
3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide has a molecular weight of 236.32 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 18923065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).