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

C12H12N2OS2 — CID 107029539

IUPAC4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nccs1)c1ccc(S)cc1
InChIInChI=1S/C12H12N2OS2/c15-12(9-1-3-10(16)4-2-9)14-6-5-11-13-7-8-17-11/h1-4,7-8,16H,5-6H2,(H,14,15)
InChIKeyABUZHWZAOZWABM-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.40
Rot. Bonds4

About 4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 107029539) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID107029539
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nccs1)c1ccc(S)cc1
InChIInChI=1S/C12H12N2OS2/c15-12(9-1-3-10(16)4-2-9)14-6-5-11-13-7-8-17-11/h1-4,7-8,16H,5-6H2,(H,14,15)
InChIKeyABUZHWZAOZWABM-UHFFFAOYSA-N
XLogP2.40
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.40
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

4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
4-(bromomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113241891
4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357165
4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 71709739
6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 66462176
2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029530
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103707187
3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357196
6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 55175820
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 78948417
4-(azepan-1-ylsulfonyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357041

Frequently Asked Questions

What is the IUPAC name of 4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 107029539) is 4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is O=C(NCCc1nccs1)c1ccc(S)cc1.
What is the InChIKey of 4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is ABUZHWZAOZWABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c15-12(9-1-3-10(16)4-2-9)14-6-5-11-13-7-8-17-11/h1-4,7-8,16H,5-6H2,(H,14,15).
What are the key properties of 4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 264.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 107029539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).