[2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone

C17H24N6OS — CID 91913702

IUPAC[2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCN1CCN(c2nc3c(s2)CN(C(=O)c2ccnn2C)CC3)CC1
InChIInChI=1S/C17H24N6OS/c1-3-21-8-10-22(11-9-21)17-19-13-5-7-23(12-15(13)25-17)16(24)14-4-6-18-20(14)2/h4,6H,3,5,7-12H2,1-2H3
InChIKeyZUNGAGKUKDQKPS-UHFFFAOYSA-N
MW360.49 g/mol
LogP1.22
Rot. Bonds3

About [2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone

[2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 91913702) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is [2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID91913702
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name[2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCN1CCN(c2nc3c(s2)CN(C(=O)c2ccnn2C)CC3)CC1
InChIInChI=1S/C17H24N6OS/c1-3-21-8-10-22(11-9-21)17-19-13-5-7-23(12-15(13)25-17)16(24)14-4-6-18-20(14)2/h4,6H,3,5,7-12H2,1-2H3
InChIKeyZUNGAGKUKDQKPS-UHFFFAOYSA-N
XLogP1.22
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone (CID 91913702) is [2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone is CCN1CCN(c2nc3c(s2)CN(C(=O)c2ccnn2C)CC3)CC1.
What is the InChIKey of [2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is ZUNGAGKUKDQKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-3-21-8-10-22(11-9-21)17-19-13-5-7-23(12-15(13)25-17)16(24)14-4-6-18-20(14)2/h4,6H,3,5,7-12H2,1-2H3.
What are the key properties of [2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone?
[2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 360.49 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 91913702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).