3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide

C12H12N2OS2 — CID 169288578

IUPAC3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(S)Cc1ccccc1
InChIInChI=1S/C12H12N2OS2/c15-11(14-12-13-6-7-17-12)10(16)8-9-4-2-1-3-5-9/h1-7,10,16H,8H2,(H,13,14,15)
InChIKeyIXQBUHTZVMCXKT-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.62
Rot. Bonds4

About 3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide

3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 169288578) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID169288578
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(S)Cc1ccccc1
InChIInChI=1S/C12H12N2OS2/c15-11(14-12-13-6-7-17-12)10(16)8-9-4-2-1-3-5-9/h1-7,10,16H,8H2,(H,13,14,15)
InChIKeyIXQBUHTZVMCXKT-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide
CID 107025328
(2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92715878
3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide
CID 107031808
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
(2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 1184208
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 104904532
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107025368
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
2-(dimethylamino)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 47839437

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide (CID 169288578) is 3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(S)Cc1ccccc1.
What is the InChIKey of 3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is IXQBUHTZVMCXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c15-11(14-12-13-6-7-17-12)10(16)8-9-4-2-1-3-5-9/h1-7,10,16H,8H2,(H,13,14,15).
What are the key properties of 3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 264.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 169288578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).