5-[8-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]imidazo[1,2-a]pyrazin-5-yl]-2H-isoindol-1-ol

C18H14N6O2S — CID 136651703

IUPAC5-[8-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]imidazo[1,2-a]pyrazin-5-yl]-2H-isoindol-1-ol
SMILESOCc1cnc(Nc2ncc(-c3ccc4c(O)[nH]cc4c3)n3ccnc23)s1
InChIInChI=1S/C18H14N6O2S/c25-9-12-7-22-18(27-12)23-15-16-19-3-4-24(16)14(8-20-15)10-1-2-13-11(5-10)6-21-17(13)26/h1-8,21,25-26H,9H2,(H,20,22,23)
InChIKeyWSDBESYFYMWFDQ-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.28
Rot. Bonds4

About 5-[8-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]imidazo[1,2-a]pyrazin-5-yl]-2H-isoindol-1-ol

5-[8-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]imidazo[1,2-a]pyrazin-5-yl]-2H-isoindol-1-ol (PubChem CID 136651703) has the molecular formula C18H14N6O2S and a molecular weight of 378.42 g/mol. Its IUPAC name is 5-[8-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]imidazo[1,2-a]pyrazin-5-yl]-2H-isoindol-1-ol.

Molecular Properties

Compound Name5-[8-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]imidazo[1,2-a]pyrazin-5-yl]-2H-isoindol-1-ol
PubChem CID136651703
Molecular FormulaC18H14N6O2S
Molecular Weight378.42 g/mol
Exact Mass378.09
IUPAC Name5-[8-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]imidazo[1,2-a]pyrazin-5-yl]-2H-isoindol-1-ol
SMILESOCc1cnc(Nc2ncc(-c3ccc4c(O)[nH]cc4c3)n3ccnc23)s1
InChIInChI=1S/C18H14N6O2S/c25-9-12-7-22-18(27-12)23-15-16-19-3-4-24(16)14(8-20-15)10-1-2-13-11(5-10)6-21-17(13)26/h1-8,21,25-26H,9H2,(H,20,22,23)
InChIKeyWSDBESYFYMWFDQ-UHFFFAOYSA-N
XLogP3.28
TPSA111.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]imidazo[1,2-a]pyrazin-5-yl]-2H-isoindol-1-ol?
The IUPAC name of 5-[8-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]imidazo[1,2-a]pyrazin-5-yl]-2H-isoindol-1-ol (CID 136651703) is 5-[8-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]imidazo[1,2-a]pyrazin-5-yl]-2H-isoindol-1-ol.
What is the SMILES notation for 5-[8-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]imidazo[1,2-a]pyrazin-5-yl]-2H-isoindol-1-ol?
The canonical SMILES for 5-[8-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]imidazo[1,2-a]pyrazin-5-yl]-2H-isoindol-1-ol is OCc1cnc(Nc2ncc(-c3ccc4c(O)[nH]cc4c3)n3ccnc23)s1.
What is the InChIKey of 5-[8-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]imidazo[1,2-a]pyrazin-5-yl]-2H-isoindol-1-ol?
The InChIKey is WSDBESYFYMWFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2S/c25-9-12-7-22-18(27-12)23-15-16-19-3-4-24(16)14(8-20-15)10-1-2-13-11(5-10)6-21-17(13)26/h1-8,21,25-26H,9H2,(H,20,22,23).
What are the key properties of 5-[8-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]imidazo[1,2-a]pyrazin-5-yl]-2H-isoindol-1-ol?
5-[8-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]imidazo[1,2-a]pyrazin-5-yl]-2H-isoindol-1-ol has a molecular weight of 378.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]imidazo[1,2-a]pyrazin-5-yl]-2H-isoindol-1-ol is sourced from PubChem (CID 136651703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).