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

C12H15N3OS2 — CID 40764470

IUPAC(2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
SMILESCC(C)NC(=O)[C@H](C)Sc1ncnc2sccc12
InChIInChI=1S/C12H15N3OS2/c1-7(2)15-10(16)8(3)18-12-9-4-5-17-11(9)13-6-14-12/h4-8H,1-3H3,(H,15,16)/t8-/m0/s1
InChIKeyYCIJIJMPQWTPFU-QMMMGPOBSA-N
MW281.41 g/mol
LogP2.70
Rot. Bonds4

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

(2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide (PubChem CID 40764470) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is (2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
PubChem CID40764470
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name(2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
SMILESCC(C)NC(=O)[C@H](C)Sc1ncnc2sccc12
InChIInChI=1S/C12H15N3OS2/c1-7(2)15-10(16)8(3)18-12-9-4-5-17-11(9)13-6-14-12/h4-8H,1-3H3,(H,15,16)/t8-/m0/s1
InChIKeyYCIJIJMPQWTPFU-QMMMGPOBSA-N
XLogP2.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide?
The IUPAC name of (2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide (CID 40764470) is (2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide?
The canonical SMILES for (2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide is CC(C)NC(=O)[C@H](C)Sc1ncnc2sccc12.
What is the InChIKey of (2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide?
The InChIKey is YCIJIJMPQWTPFU-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-7(2)15-10(16)8(3)18-12-9-4-5-17-11(9)13-6-14-12/h4-8H,1-3H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide?
(2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide has a molecular weight of 281.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide is sourced from PubChem (CID 40764470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).