2-(6-fluoro-2,7-dimethyl-2H-indol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole

C20H21FN4S — CID 178051036

IUPAC2-(6-fluoro-2,7-dimethyl-2H-indol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCc1c(F)c(-c2cn3cc(C4CCNCC4)nc3s2)cc2c1=NC(C)C=2
InChIInChI=1S/C20H21FN4S/c1-11-7-14-8-15(18(21)12(2)19(14)23-11)17-10-25-9-16(24-20(25)26-17)13-3-5-22-6-4-13/h7-11,13,22H,3-6H2,1-2H3
InChIKeyPPHWTMBVUVQGJW-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.78
Rot. Bonds2

About 2-(6-fluoro-2,7-dimethyl-2H-indol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole

2-(6-fluoro-2,7-dimethyl-2H-indol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 178051036) has the molecular formula C20H21FN4S and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(6-fluoro-2,7-dimethyl-2H-indol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-(6-fluoro-2,7-dimethyl-2H-indol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
PubChem CID178051036
Molecular FormulaC20H21FN4S
Molecular Weight368.48 g/mol
Exact Mass368.15
IUPAC Name2-(6-fluoro-2,7-dimethyl-2H-indol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCc1c(F)c(-c2cn3cc(C4CCNCC4)nc3s2)cc2c1=NC(C)C=2
InChIInChI=1S/C20H21FN4S/c1-11-7-14-8-15(18(21)12(2)19(14)23-11)17-10-25-9-16(24-20(25)26-17)13-3-5-22-6-4-13/h7-11,13,22H,3-6H2,1-2H3
InChIKeyPPHWTMBVUVQGJW-UHFFFAOYSA-N
XLogP2.78
TPSA41.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,7-dimethyl-2H-indol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-(6-fluoro-2,7-dimethyl-2H-indol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole (CID 178051036) is 2-(6-fluoro-2,7-dimethyl-2H-indol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-(6-fluoro-2,7-dimethyl-2H-indol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-(6-fluoro-2,7-dimethyl-2H-indol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole is Cc1c(F)c(-c2cn3cc(C4CCNCC4)nc3s2)cc2c1=NC(C)C=2.
What is the InChIKey of 2-(6-fluoro-2,7-dimethyl-2H-indol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is PPHWTMBVUVQGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4S/c1-11-7-14-8-15(18(21)12(2)19(14)23-11)17-10-25-9-16(24-20(25)26-17)13-3-5-22-6-4-13/h7-11,13,22H,3-6H2,1-2H3.
What are the key properties of 2-(6-fluoro-2,7-dimethyl-2H-indol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
2-(6-fluoro-2,7-dimethyl-2H-indol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 368.48 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,7-dimethyl-2H-indol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 178051036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).