(3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one

C16H14N4OS — CID 51614521

IUPAC(3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2[C@@H]1CCNc1ncnc2ccsc12
InChIInChI=1S/C16H14N4OS/c21-16-11(10-3-1-2-4-12(10)20-16)5-7-17-15-14-13(6-8-22-14)18-9-19-15/h1-4,6,8-9,11H,5,7H2,(H,20,21)(H,17,18,19)/t11-/m0/s1
InChIKeySXBSKOARTNTOCB-NSHDSACASA-N
MW310.38 g/mol
LogP3.23
Rot. Bonds4

About (3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one

(3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one (PubChem CID 51614521) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is (3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one
PubChem CID51614521
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name(3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2[C@@H]1CCNc1ncnc2ccsc12
InChIInChI=1S/C16H14N4OS/c21-16-11(10-3-1-2-4-12(10)20-16)5-7-17-15-14-13(6-8-22-14)18-9-19-15/h1-4,6,8-9,11H,5,7H2,(H,20,21)(H,17,18,19)/t11-/m0/s1
InChIKeySXBSKOARTNTOCB-NSHDSACASA-N
XLogP3.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one (CID 51614521) is (3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2[C@@H]1CCNc1ncnc2ccsc12.
What is the InChIKey of (3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is SXBSKOARTNTOCB-NSHDSACASA-N. The full InChI is InChI=1S/C16H14N4OS/c21-16-11(10-3-1-2-4-12(10)20-16)5-7-17-15-14-13(6-8-22-14)18-9-19-15/h1-4,6,8-9,11H,5,7H2,(H,20,21)(H,17,18,19)/t11-/m0/s1.
What are the key properties of (3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one?
(3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 310.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 51614521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).