5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole

C13H23N3S — CID 64925150

IUPAC5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCC(C)C1CN(Cc2cnc(C)s2)CCN1
InChIInChI=1S/C13H23N3S/c1-4-10(2)13-9-16(6-5-14-13)8-12-7-15-11(3)17-12/h7,10,13-14H,4-6,8-9H2,1-3H3
InChIKeyOVQJLXHPRMJZEF-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.27
Rot. Bonds4

About 5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole

5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 64925150) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID64925150
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCC(C)C1CN(Cc2cnc(C)s2)CCN1
InChIInChI=1S/C13H23N3S/c1-4-10(2)13-9-16(6-5-14-13)8-12-7-15-11(3)17-12/h7,10,13-14H,4-6,8-9H2,1-3H3
InChIKeyOVQJLXHPRMJZEF-UHFFFAOYSA-N
XLogP2.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole (CID 64925150) is 5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole is CCC(C)C1CN(Cc2cnc(C)s2)CCN1.
What is the InChIKey of 5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is OVQJLXHPRMJZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-10(2)13-9-16(6-5-14-13)8-12-7-15-11(3)17-12/h7,10,13-14H,4-6,8-9H2,1-3H3.
What are the key properties of 5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 253.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 64925150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).