(2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide

C17H16N4OS3 — CID 8952256

IUPAC(2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
SMILESCc1nc(S[C@H](C)C(=O)Nc2sccc2C#N)c2c(C)c(C)sc2n1
InChIInChI=1S/C17H16N4OS3/c1-8-9(2)24-16-13(8)17(20-11(4)19-16)25-10(3)14(22)21-15-12(7-18)5-6-23-15/h5-6,10H,1-4H3,(H,21,22)/t10-/m1/s1
InChIKeyKIJCYSNWCANEGJ-SNVBAGLBSA-N
MW388.54 g/mol
LogP4.67
Rot. Bonds4

About (2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide

(2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide (PubChem CID 8952256) has the molecular formula C17H16N4OS3 and a molecular weight of 388.54 g/mol. Its IUPAC name is (2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
PubChem CID8952256
Molecular FormulaC17H16N4OS3
Molecular Weight388.54 g/mol
Exact Mass388.05
IUPAC Name(2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
SMILESCc1nc(S[C@H](C)C(=O)Nc2sccc2C#N)c2c(C)c(C)sc2n1
InChIInChI=1S/C17H16N4OS3/c1-8-9(2)24-16-13(8)17(20-11(4)19-16)25-10(3)14(22)21-15-12(7-18)5-6-23-15/h5-6,10H,1-4H3,(H,21,22)/t10-/m1/s1
InChIKeyKIJCYSNWCANEGJ-SNVBAGLBSA-N
XLogP4.67
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-propan-2-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 51184317
(2S)-N-(3,4-difluorophenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 8952211
(2S)-N-(2-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7680455
(2R)-N-carbamoyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7680480
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7680445
N-[(4-methylphenyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 84881540
methyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate
CID 18775686
(2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 41236618
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7680548
N,N-dimethyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 51209452
(2R)-N-(3-cyanothiophen-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 41208482
(2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile
CID 2470719

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide (CID 8952256) is (2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide is Cc1nc(S[C@H](C)C(=O)Nc2sccc2C#N)c2c(C)c(C)sc2n1.
What is the InChIKey of (2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is KIJCYSNWCANEGJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16N4OS3/c1-8-9(2)24-16-13(8)17(20-11(4)19-16)25-10(3)14(22)21-15-12(7-18)5-6-23-15/h5-6,10H,1-4H3,(H,21,22)/t10-/m1/s1.
What are the key properties of (2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide?
(2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 388.54 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 8952256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).