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

C15H25N3S — CID 112644908

IUPAC5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCC(C)C1CN(Cc2cncs2)C(C2CC2)CN1
InChIInChI=1S/C15H25N3S/c1-3-11(2)14-9-18(8-13-6-16-10-19-13)15(7-17-14)12-4-5-12/h6,10-12,14-15,17H,3-5,7-9H2,1-2H3
InChIKeyZFWVYKAOIRYRAE-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.74
Rot. Bonds5

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

5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 112644908) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID112644908
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCC(C)C1CN(Cc2cncs2)C(C2CC2)CN1
InChIInChI=1S/C15H25N3S/c1-3-11(2)14-9-18(8-13-6-16-10-19-13)15(7-17-14)12-4-5-12/h6,10-12,14-15,17H,3-5,7-9H2,1-2H3
InChIKeyZFWVYKAOIRYRAE-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole (CID 112644908) is 5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole is CCC(C)C1CN(Cc2cncs2)C(C2CC2)CN1.
What is the InChIKey of 5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is ZFWVYKAOIRYRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-3-11(2)14-9-18(8-13-6-16-10-19-13)15(7-17-14)12-4-5-12/h6,10-12,14-15,17H,3-5,7-9H2,1-2H3.
What are the key properties of 5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole?
5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 279.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112644908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).