2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole

C13H21N3S — CID 116891617

IUPAC2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole
SMILESCC(c1csc(C2CCC2)n1)N1CCNCC1
InChIInChI=1S/C13H21N3S/c1-10(16-7-5-14-6-8-16)12-9-17-13(15-12)11-3-2-4-11/h9-11,14H,2-8H2,1H3
InChIKeyZOJFJLQOBQIVMZ-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.38
Rot. Bonds3

About 2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole

2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole (PubChem CID 116891617) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole
PubChem CID116891617
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole
SMILESCC(c1csc(C2CCC2)n1)N1CCNCC1
InChIInChI=1S/C13H21N3S/c1-10(16-7-5-14-6-8-16)12-9-17-13(15-12)11-3-2-4-11/h9-11,14H,2-8H2,1H3
InChIKeyZOJFJLQOBQIVMZ-UHFFFAOYSA-N
XLogP2.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 115087846
4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole
CID 169267593
2-cyclobutyl-4-(2-methylpropyl)-1,3-thiazole
CID 130891959
1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
CID 65415626
2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole
CID 124868150
1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835
2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid
CID 116891647
1-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115088531
N-propan-2-yl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 53016871
3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 80609640
4-(1-methylpiperidin-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965401

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole?
The IUPAC name of 2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole (CID 116891617) is 2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole.
What is the SMILES notation for 2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole?
The canonical SMILES for 2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole is CC(c1csc(C2CCC2)n1)N1CCNCC1.
What is the InChIKey of 2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole?
The InChIKey is ZOJFJLQOBQIVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10(16-7-5-14-6-8-16)12-9-17-13(15-12)11-3-2-4-11/h9-11,14H,2-8H2,1H3.
What are the key properties of 2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole?
2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole has a molecular weight of 251.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole is sourced from PubChem (CID 116891617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).