N-[(2S)-1-[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine

C23H28N6O3S3 — CID 167377301

About N-[(2S)-1-[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine

N-[(2S)-1-[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 167377301) has the molecular formula C23H28N6O3S3 and a molecular weight of 532.72 g/mol. Its IUPAC name is N-[(2S)-1-[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[(2S)-1-[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine
• PubChem CID: 167377301
• Molecular Formula: C23H28N6O3S3
• Molecular Weight: 532.72 g/mol
• Exact Mass: 532.14
• IUPAC Name: N-[(2S)-1-[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine
• SMILES: Cc1noc(-c2ccc(S(=O)(=O)N3CCN(C[C@H](C)Nc4ncnc5c(C)csc45)CC3)s2)c1C
• InChI: InChI=1S/C23H28N6O3S3/c1-14-12-33-22-20(14)24-13-25-23(22)26-15(2)11-28-7-9-29(10-8-28)35(30,31)19-6-5-18(34-19)21-16(3)17(4)27-32-21/h5-6,12-13,15H,7-11H2,1-4H3,(H,24,25,26)/t15-/m0/s1
• InChIKey: UVRGHEYADYBWFL-HNNXBMFYSA-N
• XLogP: 4.14
• TPSA: 104.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.72
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine?

The IUPAC name of N-[(2S)-1-[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 167377301) is N-[(2S)-1-[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for N-[(2S)-1-[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine?

The canonical SMILES for N-[(2S)-1-[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1noc(-c2ccc(S(=O)(=O)N3CCN(C[C@H](C)Nc4ncnc5c(C)csc45)CC3)s2)c1C.

What is the InChIKey of N-[(2S)-1-[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine?

The InChIKey is UVRGHEYADYBWFL-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H28N6O3S3/c1-14-12-33-22-20(14)24-13-25-23(22)26-15(2)11-28-7-9-29(10-8-28)35(30,31)19-6-5-18(34-19)21-16(3)17(4)27-32-21/h5-6,12-13,15H,7-11H2,1-4H3,(H,24,25,26)/t15-/m0/s1.

What are the key properties of N-[(2S)-1-[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine?

N-[(2S)-1-[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 532.72 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 167377301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).