[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C15H16N4OS2 — CID 46967629

IUPAC[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1nc(C2CCCN(C(=O)c3cscn3)C2)c2sccn12
InChIInChI=1S/C15H16N4OS2/c1-10-17-13(15-19(10)5-6-22-15)11-3-2-4-18(7-11)14(20)12-8-21-9-16-12/h5-6,8-9,11H,2-4,7H2,1H3
InChIKeyBPWUXACFTCQENA-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.18
Rot. Bonds2

About [3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 46967629) has the molecular formula C15H16N4OS2 and a molecular weight of 332.45 g/mol. Its IUPAC name is [3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID46967629
Molecular FormulaC15H16N4OS2
Molecular Weight332.45 g/mol
Exact Mass332.08
IUPAC Name[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1nc(C2CCCN(C(=O)c3cscn3)C2)c2sccn12
InChIInChI=1S/C15H16N4OS2/c1-10-17-13(15-19(10)5-6-22-15)11-3-2-4-18(7-11)14(20)12-8-21-9-16-12/h5-6,8-9,11H,2-4,7H2,1H3
InChIKeyBPWUXACFTCQENA-UHFFFAOYSA-N
XLogP3.18
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 46967629) is [3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1nc(C2CCCN(C(=O)c3cscn3)C2)c2sccn12.
What is the InChIKey of [3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is BPWUXACFTCQENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS2/c1-10-17-13(15-19(10)5-6-22-15)11-3-2-4-18(7-11)14(20)12-8-21-9-16-12/h5-6,8-9,11H,2-4,7H2,1H3.
What are the key properties of [3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 332.45 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 46967629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).