2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

C13H18N4OS — CID 91833897

IUPAC2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCc1nc(CCN2Cc3cnn(CCO)c3C2)cs1
InChIInChI=1S/C13H18N4OS/c1-10-15-12(9-19-10)2-3-16-7-11-6-14-17(4-5-18)13(11)8-16/h6,9,18H,2-5,7-8H2,1H3
InChIKeyGZXWVPAEGOYBSV-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.20
Rot. Bonds5

About 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (PubChem CID 91833897) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
PubChem CID91833897
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCc1nc(CCN2Cc3cnn(CCO)c3C2)cs1
InChIInChI=1S/C13H18N4OS/c1-10-15-12(9-19-10)2-3-16-7-11-6-14-17(4-5-18)13(11)8-16/h6,9,18H,2-5,7-8H2,1H3
InChIKeyGZXWVPAEGOYBSV-UHFFFAOYSA-N
XLogP1.20
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (CID 91833897) is 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is Cc1nc(CCN2Cc3cnn(CCO)c3C2)cs1.
What is the InChIKey of 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The InChIKey is GZXWVPAEGOYBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10-15-12(9-19-10)2-3-16-7-11-6-14-17(4-5-18)13(11)8-16/h6,9,18H,2-5,7-8H2,1H3.
What are the key properties of 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol has a molecular weight of 278.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 91833897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).