[5-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone

C20H28N6OS — CID 30921709

IUPAC[5-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
SMILESCc1cc(C)n(CCN(C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)n1
InChIInChI=1S/C20H28N6OS/c1-15-13-16(2)26(22-15)10-9-23(3)14-17-18(21-20-25(17)11-12-28-20)19(27)24-7-5-4-6-8-24/h11-13H,4-10,14H2,1-3H3
InChIKeyUWYTVGWSCUFSDK-UHFFFAOYSA-N
MW400.55 g/mol
LogP2.97
Rot. Bonds6

About [5-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone

[5-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone (PubChem CID 30921709) has the molecular formula C20H28N6OS and a molecular weight of 400.55 g/mol. Its IUPAC name is [5-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
PubChem CID30921709
Molecular FormulaC20H28N6OS
Molecular Weight400.55 g/mol
Exact Mass400.20
IUPAC Name[5-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
SMILESCc1cc(C)n(CCN(C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)n1
InChIInChI=1S/C20H28N6OS/c1-15-13-16(2)26(22-15)10-9-23(3)14-17-18(21-20-25(17)11-12-28-20)19(27)24-7-5-4-6-8-24/h11-13H,4-10,14H2,1-3H3
InChIKeyUWYTVGWSCUFSDK-UHFFFAOYSA-N
XLogP2.97
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone (CID 30921709) is [5-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone is Cc1cc(C)n(CCN(C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)n1.
What is the InChIKey of [5-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The InChIKey is UWYTVGWSCUFSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6OS/c1-15-13-16(2)26(22-15)10-9-23(3)14-17-18(21-20-25(17)11-12-28-20)19(27)24-7-5-4-6-8-24/h11-13H,4-10,14H2,1-3H3.
What are the key properties of [5-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
[5-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone has a molecular weight of 400.55 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 30921709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).