2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole

C14H23N3S — CID 64948017

IUPAC2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCC1CNC(C)(C2CC2)CN1Cc1nccs1
InChIInChI=1S/C14H23N3S/c1-3-12-8-16-14(2,11-4-5-11)10-17(12)9-13-15-6-7-18-13/h6-7,11-12,16H,3-5,8-10H2,1-2H3
InChIKeyDUZBFNJMKUJLOT-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.50
Rot. Bonds4

About 2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole

2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 64948017) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID64948017
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCC1CNC(C)(C2CC2)CN1Cc1nccs1
InChIInChI=1S/C14H23N3S/c1-3-12-8-16-14(2,11-4-5-11)10-17(12)9-13-15-6-7-18-13/h6-7,11-12,16H,3-5,8-10H2,1-2H3
InChIKeyDUZBFNJMKUJLOT-UHFFFAOYSA-N
XLogP2.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole (CID 64948017) is 2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole is CCC1CNC(C)(C2CC2)CN1Cc1nccs1.
What is the InChIKey of 2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is DUZBFNJMKUJLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-12-8-16-14(2,11-4-5-11)10-17(12)9-13-15-6-7-18-13/h6-7,11-12,16H,3-5,8-10H2,1-2H3.
What are the key properties of 2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole?
2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 265.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 64948017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).