5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole

C10H17N3OS — CID 20664826

IUPAC5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCOCc1cnc(N2CCN(C)CC2)s1
InChIInChI=1S/C10H17N3OS/c1-12-3-5-13(6-4-12)10-11-7-9(15-10)8-14-2/h7H,3-6,8H2,1-2H3
InChIKeyKNFMUDPKXGTJHV-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.04
Rot. Bonds3

About 5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole

5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 20664826) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID20664826
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCOCc1cnc(N2CCN(C)CC2)s1
InChIInChI=1S/C10H17N3OS/c1-12-3-5-13(6-4-12)10-11-7-9(15-10)8-14-2/h7H,3-6,8H2,1-2H3
InChIKeyKNFMUDPKXGTJHV-UHFFFAOYSA-N
XLogP1.04
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole (CID 20664826) is 5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole is COCc1cnc(N2CCN(C)CC2)s1.
What is the InChIKey of 5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is KNFMUDPKXGTJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-12-3-5-13(6-4-12)10-11-7-9(15-10)8-14-2/h7H,3-6,8H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 227.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 20664826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).