2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one

C19H17N5OS2 — CID 123258404

IUPAC2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one
SMILESO=C1c2cccc(-c3cscn3)c2CN1CCC1=NC(c2ccn[nH]2)SC1
InChIInChI=1S/C19H17N5OS2/c25-19-14-3-1-2-13(17-10-26-11-20-17)15(14)8-24(19)7-5-12-9-27-18(22-12)16-4-6-21-23-16/h1-4,6,10-11,18H,5,7-9H2,(H,21,23)
InChIKeyVOOYRPOQOJUUSF-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.77
Rot. Bonds5

About 2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one

2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one (PubChem CID 123258404) has the molecular formula C19H17N5OS2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one
PubChem CID123258404
Molecular FormulaC19H17N5OS2
Molecular Weight395.51 g/mol
Exact Mass395.09
IUPAC Name2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one
SMILESO=C1c2cccc(-c3cscn3)c2CN1CCC1=NC(c2ccn[nH]2)SC1
InChIInChI=1S/C19H17N5OS2/c25-19-14-3-1-2-13(17-10-26-11-20-17)15(14)8-24(19)7-5-12-9-27-18(22-12)16-4-6-21-23-16/h1-4,6,10-11,18H,5,7-9H2,(H,21,23)
InChIKeyVOOYRPOQOJUUSF-UHFFFAOYSA-N
XLogP3.77
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one?
The IUPAC name of 2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one (CID 123258404) is 2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one is O=C1c2cccc(-c3cscn3)c2CN1CCC1=NC(c2ccn[nH]2)SC1.
What is the InChIKey of 2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one?
The InChIKey is VOOYRPOQOJUUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS2/c25-19-14-3-1-2-13(17-10-26-11-20-17)15(14)8-24(19)7-5-12-9-27-18(22-12)16-4-6-21-23-16/h1-4,6,10-11,18H,5,7-9H2,(H,21,23).
What are the key properties of 2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one?
2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one has a molecular weight of 395.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1H-pyrazol-5-yl)-2,5-dihydro-1,3-thiazol-4-yl]ethyl]-4-(1,3-thiazol-4-yl)-3H-isoindol-1-one is sourced from PubChem (CID 123258404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).