[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]methanol

C19H22N4OS — CID 22502521

IUPAC[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]methanol
SMILESCCN1CCN(c2nc(-c3cnc(CO)s3)cc3ccccc23)CC1
InChIInChI=1S/C19H22N4OS/c1-2-22-7-9-23(10-8-22)19-15-6-4-3-5-14(15)11-16(21-19)17-12-20-18(13-24)25-17/h3-6,11-12,24H,2,7-10,13H2,1H3
InChIKeyCWLCUZWEXNAZDA-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.99
Rot. Bonds4

About [5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]methanol

[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]methanol (PubChem CID 22502521) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is [5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]methanol
PubChem CID22502521
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]methanol
SMILESCCN1CCN(c2nc(-c3cnc(CO)s3)cc3ccccc23)CC1
InChIInChI=1S/C19H22N4OS/c1-2-22-7-9-23(10-8-22)19-15-6-4-3-5-14(15)11-16(21-19)17-12-20-18(13-24)25-17/h3-6,11-12,24H,2,7-10,13H2,1H3
InChIKeyCWLCUZWEXNAZDA-UHFFFAOYSA-N
XLogP2.99
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of [5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]methanol (CID 22502521) is [5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]methanol is CCN1CCN(c2nc(-c3cnc(CO)s3)cc3ccccc23)CC1.
What is the InChIKey of [5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]methanol?
The InChIKey is CWLCUZWEXNAZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-2-22-7-9-23(10-8-22)19-15-6-4-3-5-14(15)11-16(21-19)17-12-20-18(13-24)25-17/h3-6,11-12,24H,2,7-10,13H2,1H3.
What are the key properties of [5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]methanol?
[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]methanol has a molecular weight of 354.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 22502521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).