(2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide

C14H11N5OS3 — CID 41236618

IUPAC(2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
SMILESC[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1sccc1C#N
InChIInChI=1S/C14H11N5OS3/c1-7(11(20)18-12-8(6-15)2-4-21-12)23-14-17-10(16)9-3-5-22-13(9)19-14/h2-5,7H,1H3,(H,18,20)(H2,16,17,19)/t7-/m1/s1
InChIKeyYDBRESUDODCDBE-SSDOTTSWSA-N
MW361.48 g/mol
LogP3.33
Rot. Bonds4

About (2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide

(2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide (PubChem CID 41236618) has the molecular formula C14H11N5OS3 and a molecular weight of 361.48 g/mol. Its IUPAC name is (2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
PubChem CID41236618
Molecular FormulaC14H11N5OS3
Molecular Weight361.48 g/mol
Exact Mass361.01
IUPAC Name(2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
SMILESC[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1sccc1C#N
InChIInChI=1S/C14H11N5OS3/c1-7(11(20)18-12-8(6-15)2-4-21-12)23-14-17-10(16)9-3-5-22-13(9)19-14/h2-5,7H,1H3,(H,18,20)(H2,16,17,19)/t7-/m1/s1
InChIKeyYDBRESUDODCDBE-SSDOTTSWSA-N
XLogP3.33
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide
CID 60699061
(2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41236615
(2S)-2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 41083741
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 24528300
(2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 8952256
(2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 32540398
(2R)-N-(3-cyanothiophen-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 41208482
(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 865204
(2R)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)propanamide
CID 8539017
2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide
CID 61258756
(2S)-N-(3-cyanothiophen-2-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9306742
(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
The IUPAC name of (2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide (CID 41236618) is (2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
The canonical SMILES for (2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide is C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1sccc1C#N.
What is the InChIKey of (2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
The InChIKey is YDBRESUDODCDBE-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H11N5OS3/c1-7(11(20)18-12-8(6-15)2-4-21-12)23-14-17-10(16)9-3-5-22-13(9)19-14/h2-5,7H,1H3,(H,18,20)(H2,16,17,19)/t7-/m1/s1.
What are the key properties of (2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
(2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide has a molecular weight of 361.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide is sourced from PubChem (CID 41236618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).