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

C18H23N5OS — CID 46956106

IUPAC4-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one
SMILESCc1nc(C2CCN(C(=O)CCCn3ccnc3)CC2)c2sccn12
InChIInChI=1S/C18H23N5OS/c1-14-20-17(18-23(14)11-12-25-18)15-4-8-22(9-5-15)16(24)3-2-7-21-10-6-19-13-21/h6,10-13,15H,2-5,7-9H2,1H3
InChIKeyDKVAXVDKCDWPAB-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.09
Rot. Bonds5

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

4-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one (PubChem CID 46956106) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one
PubChem CID46956106
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name4-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one
SMILESCc1nc(C2CCN(C(=O)CCCn3ccnc3)CC2)c2sccn12
InChIInChI=1S/C18H23N5OS/c1-14-20-17(18-23(14)11-12-25-18)15-4-8-22(9-5-15)16(24)3-2-7-21-10-6-19-13-21/h6,10-13,15H,2-5,7-9H2,1H3
InChIKeyDKVAXVDKCDWPAB-UHFFFAOYSA-N
XLogP3.09
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one (CID 46956106) is 4-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one is Cc1nc(C2CCN(C(=O)CCCn3ccnc3)CC2)c2sccn12.
What is the InChIKey of 4-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one?
The InChIKey is DKVAXVDKCDWPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-14-20-17(18-23(14)11-12-25-18)15-4-8-22(9-5-15)16(24)3-2-7-21-10-6-19-13-21/h6,10-13,15H,2-5,7-9H2,1H3.
What are the key properties of 4-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one?
4-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one has a molecular weight of 357.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 46956106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).