3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol

C15H17N3OS — CID 142207678

IUPAC3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol
SMILESC/C=N/[C@@H](Cc1c[nH]c2c1C=C(O)CC2)c1cscn1
InChIInChI=1S/C15H17N3OS/c1-2-16-14(15-8-20-9-18-15)5-10-7-17-13-4-3-11(19)6-12(10)13/h2,6-9,14,17,19H,3-5H2,1H3/b16-2+/t14-/m0/s1
InChIKeyVOJXGKYZHHHQGY-UIWHWPOISA-N
MW287.39 g/mol
LogP3.69
Rot. Bonds4

About 3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol

3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol (PubChem CID 142207678) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol.

Molecular Properties

Compound Name3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol
PubChem CID142207678
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol
SMILESC/C=N/[C@@H](Cc1c[nH]c2c1C=C(O)CC2)c1cscn1
InChIInChI=1S/C15H17N3OS/c1-2-16-14(15-8-20-9-18-15)5-10-7-17-13-4-3-11(19)6-12(10)13/h2,6-9,14,17,19H,3-5H2,1H3/b16-2+/t14-/m0/s1
InChIKeyVOJXGKYZHHHQGY-UIWHWPOISA-N
XLogP3.69
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol?
The IUPAC name of 3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol (CID 142207678) is 3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol.
What is the SMILES notation for 3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol?
The canonical SMILES for 3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol is C/C=N/[C@@H](Cc1c[nH]c2c1C=C(O)CC2)c1cscn1.
What is the InChIKey of 3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol?
The InChIKey is VOJXGKYZHHHQGY-UIWHWPOISA-N. The full InChI is InChI=1S/C15H17N3OS/c1-2-16-14(15-8-20-9-18-15)5-10-7-17-13-4-3-11(19)6-12(10)13/h2,6-9,14,17,19H,3-5H2,1H3/b16-2+/t14-/m0/s1.
What are the key properties of 3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol?
3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol has a molecular weight of 287.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol is sourced from PubChem (CID 142207678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).