6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole

C16H24N4S — CID 115334918

IUPAC6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCCCC1CNC(C2CC2)CN1Cc1cn2ccsc2n1
InChIInChI=1S/C16H24N4S/c1-2-3-14-8-17-15(12-4-5-12)11-20(14)10-13-9-19-6-7-21-16(19)18-13/h6-7,9,12,14-15,17H,2-5,8,10-11H2,1H3
InChIKeyXOQAYKMAYOXAQL-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.75
Rot. Bonds5

About 6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole

6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115334918) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115334918
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCCCC1CNC(C2CC2)CN1Cc1cn2ccsc2n1
InChIInChI=1S/C16H24N4S/c1-2-3-14-8-17-15(12-4-5-12)11-20(14)10-13-9-19-6-7-21-16(19)18-13/h6-7,9,12,14-15,17H,2-5,8,10-11H2,1H3
InChIKeyXOQAYKMAYOXAQL-UHFFFAOYSA-N
XLogP2.75
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115332588
6-[(5-cyclopropyl-2-ethyl-2-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334922
6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334914
6-[(2-ethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113288915
1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
CID 64862217
1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
CID 103050837
6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289439
6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 113289352
6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 104975458
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile
CID 115331828
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758818
6-[(2-tert-butylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334835

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (CID 115334918) is 6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is CCCC1CNC(C2CC2)CN1Cc1cn2ccsc2n1.
What is the InChIKey of 6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is XOQAYKMAYOXAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-2-3-14-8-17-15(12-4-5-12)11-20(14)10-13-9-19-6-7-21-16(19)18-13/h6-7,9,12,14-15,17H,2-5,8,10-11H2,1H3.
What are the key properties of 6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 304.46 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115334918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).