(2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

C16H12N4OS2 — CID 7889368

IUPAC(2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
SMILESC[C@H](Sc1ncnc2sccc12)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H12N4OS2/c1-10(14(21)20-13-5-3-2-4-11(13)8-17)23-16-12-6-7-22-15(12)18-9-19-16/h2-7,9-10H,1H3,(H,20,21)/t10-/m0/s1
InChIKeyLROJEYNSSVMODK-JTQLQIEISA-N
MW340.43 g/mol
LogP3.68
Rot. Bonds4

About (2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

(2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide (PubChem CID 7889368) has the molecular formula C16H12N4OS2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
PubChem CID7889368
Molecular FormulaC16H12N4OS2
Molecular Weight340.43 g/mol
Exact Mass340.05
IUPAC Name(2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
SMILESC[C@H](Sc1ncnc2sccc12)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H12N4OS2/c1-10(14(21)20-13-5-3-2-4-11(13)8-17)23-16-12-6-7-22-15(12)18-9-19-16/h2-7,9-10H,1H3,(H,20,21)/t10-/m0/s1
InChIKeyLROJEYNSSVMODK-JTQLQIEISA-N
XLogP3.68
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(2-methoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 2633299
(2S)-N-(2-cyanophenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)propanamide
CID 2603353
(2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 40764470
(2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889375
(2R)-N-(3-cyanothiophen-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 41208482
(2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide
CID 2501567
N-(2-cyanophenyl)-2-methylsulfanylpropanamide
CID 47263046
(2R)-N-(1,3-benzodioxol-5-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889298
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-cyanophenyl)propanamide
CID 2470642
(2S)-N-(4-fluoro-3-nitrophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889386
(2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile
CID 7889352
N-(2-cyanophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 17434437

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide?
The IUPAC name of (2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide (CID 7889368) is (2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide is C[C@H](Sc1ncnc2sccc12)C(=O)Nc1ccccc1C#N.
What is the InChIKey of (2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide?
The InChIKey is LROJEYNSSVMODK-JTQLQIEISA-N. The full InChI is InChI=1S/C16H12N4OS2/c1-10(14(21)20-13-5-3-2-4-11(13)8-17)23-16-12-6-7-22-15(12)18-9-19-16/h2-7,9-10H,1H3,(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide?
(2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide has a molecular weight of 340.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyanophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide is sourced from PubChem (CID 7889368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).