1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

C17H22N6OS — CID 110216660

IUPAC1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCc1csc2c(C3CCCN(C(=O)CCn4cncn4)C3)nc(C)n12
InChIInChI=1S/C17H22N6OS/c1-12-9-25-17-16(20-13(2)23(12)17)14-4-3-6-21(8-14)15(24)5-7-22-11-18-10-19-22/h9-11,14H,3-8H2,1-2H3
InChIKeyPSRNBQOJJIJWML-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.40
Rot. Bonds4

About 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 110216660) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID110216660
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCc1csc2c(C3CCCN(C(=O)CCn4cncn4)C3)nc(C)n12
InChIInChI=1S/C17H22N6OS/c1-12-9-25-17-16(20-13(2)23(12)17)14-4-3-6-21(8-14)15(24)5-7-22-11-18-10-19-22/h9-11,14H,3-8H2,1-2H3
InChIKeyPSRNBQOJJIJWML-UHFFFAOYSA-N
XLogP2.40
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (CID 110216660) is 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is Cc1csc2c(C3CCCN(C(=O)CCn4cncn4)C3)nc(C)n12.
What is the InChIKey of 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is PSRNBQOJJIJWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-12-9-25-17-16(20-13(2)23(12)17)14-4-3-6-21(8-14)15(24)5-7-22-11-18-10-19-22/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 358.47 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 110216660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).