(2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide

C13H13N3OS2 — CID 9454380

IUPAC(2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
SMILESC[C@@H](SC1=NCCS1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H13N3OS2/c1-9(19-13-15-6-7-18-13)12(17)16-11-4-2-10(8-14)3-5-11/h2-5,9H,6-7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyACAPRNLWIGZUJZ-SECBINFHSA-N
MW291.40 g/mol
LogP2.72
Rot. Bonds3

About (2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide

(2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide (PubChem CID 9454380) has the molecular formula C13H13N3OS2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
PubChem CID9454380
Molecular FormulaC13H13N3OS2
Molecular Weight291.40 g/mol
Exact Mass291.05
IUPAC Name(2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
SMILESC[C@@H](SC1=NCCS1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H13N3OS2/c1-9(19-13-15-6-7-18-13)12(17)16-11-4-2-10(8-14)3-5-11/h2-5,9H,6-7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyACAPRNLWIGZUJZ-SECBINFHSA-N
XLogP2.72
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide
CID 17403739
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide
CID 23830370
(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-sulfamoylphenyl)propanamide
CID 9454357
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 26726601
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 9454338
(2R)-N-(1,3-benzodioxol-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 9454339
(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9454335
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25038009
(2R)-N-(4-cyanophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785073
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 23858692
N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 17427781
(2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-cyanophenyl)propanamide
CID 7845231

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide?
The IUPAC name of (2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide (CID 9454380) is (2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide is C[C@@H](SC1=NCCS1)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of (2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide?
The InChIKey is ACAPRNLWIGZUJZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H13N3OS2/c1-9(19-13-15-6-7-18-13)12(17)16-11-4-2-10(8-14)3-5-11/h2-5,9H,6-7H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide?
(2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide has a molecular weight of 291.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 9454380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).