6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C13H16N4OS — CID 61441904

IUPAC6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(N2CCN(C3CC3)CC2)nc2sccn12
InChIInChI=1S/C13H16N4OS/c18-9-11-12(14-13-17(11)7-8-19-13)16-5-3-15(4-6-16)10-1-2-10/h7-10H,1-6H2
InChIKeyVXUTWOUGGQASDH-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.49
Rot. Bonds3

About 6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 61441904) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID61441904
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(N2CCN(C3CC3)CC2)nc2sccn12
InChIInChI=1S/C13H16N4OS/c18-9-11-12(14-13-17(11)7-8-19-13)16-5-3-15(4-6-16)10-1-2-10/h7-10H,1-6H2
InChIKeyVXUTWOUGGQASDH-UHFFFAOYSA-N
XLogP1.49
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780554
6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63158274
6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16779994
6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63973868
6-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 79096104
6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 165460819
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 30063187
6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 62133577
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82750522
(E)-3-[6-(4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 16780343
6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 61044840
6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43475639

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 61441904) is 6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(N2CCN(C3CC3)CC2)nc2sccn12.
What is the InChIKey of 6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is VXUTWOUGGQASDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c18-9-11-12(14-13-17(11)7-8-19-13)16-5-3-15(4-6-16)10-1-2-10/h7-10H,1-6H2.
What are the key properties of 6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 276.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 61441904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).