5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole

C15H27N3S — CID 112644892

IUPAC5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCCC1CNC(C(C)(C)C)CN1Cc1cncs1
InChIInChI=1S/C15H27N3S/c1-5-6-12-7-17-14(15(2,3)4)10-18(12)9-13-8-16-11-19-13/h8,11-12,14,17H,5-7,9-10H2,1-4H3
InChIKeyJMLNVPVFXBVEGP-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.13
Rot. Bonds4

About 5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole

5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 112644892) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID112644892
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCCC1CNC(C(C)(C)C)CN1Cc1cncs1
InChIInChI=1S/C15H27N3S/c1-5-6-12-7-17-14(15(2,3)4)10-18(12)9-13-8-16-11-19-13/h8,11-12,14,17H,5-7,9-10H2,1-4H3
InChIKeyJMLNVPVFXBVEGP-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole (CID 112644892) is 5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole is CCCC1CNC(C(C)(C)C)CN1Cc1cncs1.
What is the InChIKey of 5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is JMLNVPVFXBVEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-6-12-7-17-14(15(2,3)4)10-18(12)9-13-8-16-11-19-13/h8,11-12,14,17H,5-7,9-10H2,1-4H3.
What are the key properties of 5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole?
5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 281.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112644892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).