ethane;2-(4-methylpiperazin-1-yl)-1,3-thiazole

C10H19N3S — CID 143444001

IUPACethane;2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCC.CN1CCN(c2nccs2)CC1
InChIInChI=1S/C8H13N3S.C2H6/c1-10-3-5-11(6-4-10)8-9-2-7-12-8;1-2/h2,7H,3-6H2,1H3;1-2H3
InChIKeyWKEZRNOEBJKPAV-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.92
Rot. Bonds1

About ethane;2-(4-methylpiperazin-1-yl)-1,3-thiazole

ethane;2-(4-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 143444001) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is ethane;2-(4-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-(4-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID143444001
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Nameethane;2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCC.CN1CCN(c2nccs2)CC1
InChIInChI=1S/C8H13N3S.C2H6/c1-10-3-5-11(6-4-10)8-9-2-7-12-8;1-2/h2,7H,3-6H2,1H3;1-2H3
InChIKeyWKEZRNOEBJKPAV-UHFFFAOYSA-N
XLogP1.92
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of ethane;2-(4-methylpiperazin-1-yl)-1,3-thiazole (CID 143444001) is ethane;2-(4-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for ethane;2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for ethane;2-(4-methylpiperazin-1-yl)-1,3-thiazole is CC.CN1CCN(c2nccs2)CC1.
What is the InChIKey of ethane;2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is WKEZRNOEBJKPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S.C2H6/c1-10-3-5-11(6-4-10)8-9-2-7-12-8;1-2/h2,7H,3-6H2,1H3;1-2H3.
What are the key properties of ethane;2-(4-methylpiperazin-1-yl)-1,3-thiazole?
ethane;2-(4-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 213.35 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 143444001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).