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

C16H22N6OS — CID 91903891

IUPAC[2-(4-methylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCN1CCN(c2nc3c(s2)CN(C(=O)c2ccnn2C)CC3)CC1
InChIInChI=1S/C16H22N6OS/c1-19-7-9-21(10-8-19)16-18-12-4-6-22(11-14(12)24-16)15(23)13-3-5-17-20(13)2/h3,5H,4,6-11H2,1-2H3
InChIKeyAPZVXEHMLZEBMU-UHFFFAOYSA-N
MW346.46 g/mol
LogP0.83
Rot. Bonds2

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

[2-(4-methylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 91903891) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is [2-(4-methylpiperazin-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-methylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID91903891
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name[2-(4-methylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCN1CCN(c2nc3c(s2)CN(C(=O)c2ccnn2C)CC3)CC1
InChIInChI=1S/C16H22N6OS/c1-19-7-9-21(10-8-19)16-18-12-4-6-22(11-14(12)24-16)15(23)13-3-5-17-20(13)2/h3,5H,4,6-11H2,1-2H3
InChIKeyAPZVXEHMLZEBMU-UHFFFAOYSA-N
XLogP0.83
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperazin-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-methylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone (CID 91903891) is [2-(4-methylpiperazin-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-methylpiperazin-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-methylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone is CN1CCN(c2nc3c(s2)CN(C(=O)c2ccnn2C)CC3)CC1.
What is the InChIKey of [2-(4-methylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is APZVXEHMLZEBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-19-7-9-21(10-8-19)16-18-12-4-6-22(11-14(12)24-16)15(23)13-3-5-17-20(13)2/h3,5H,4,6-11H2,1-2H3.
What are the key properties of [2-(4-methylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone?
[2-(4-methylpiperazin-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 346.46 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperazin-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 91903891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).