3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

C12H12N2OS2 — CID 107030826

IUPAC3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(S)c1)c1nccs1
InChIInChI=1S/C12H12N2OS2/c1-8(12-13-5-6-17-12)14-11(15)9-3-2-4-10(16)7-9/h2-8,16H,1H3,(H,14,15)
InChIKeyJUENMIJFMDXKLV-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.92
Rot. Bonds3

About 3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 107030826) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID107030826
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(S)c1)c1nccs1
InChIInChI=1S/C12H12N2OS2/c1-8(12-13-5-6-17-12)14-11(15)9-3-2-4-10(16)7-9/h2-8,16H,1H3,(H,14,15)
InChIKeyJUENMIJFMDXKLV-UHFFFAOYSA-N
XLogP2.92
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996
2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107030816
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 154850938
3-hydroxy-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82828968
6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612917
N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide
CID 107025485
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide
CID 106390062
5,6-dichloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612580
2,4-dihydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113232782
2-amino-4-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 79722891
2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103882791
N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 95153133

Frequently Asked Questions

What is the IUPAC name of 3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (CID 107030826) is 3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is CC(NC(=O)c1cccc(S)c1)c1nccs1.
What is the InChIKey of 3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is JUENMIJFMDXKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-8(12-13-5-6-17-12)14-11(15)9-3-2-4-10(16)7-9/h2-8,16H,1H3,(H,14,15).
What are the key properties of 3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 264.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 107030826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).