2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole

C19H19F2N5S — CID 178050953

IUPAC2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCn1cc2cc(-c3cn4cc(C5CCNCC5)nc4s3)cc(C(F)F)c2n1
InChIInChI=1S/C19H19F2N5S/c1-25-8-13-6-12(7-14(18(20)21)17(13)24-25)16-10-26-9-15(23-19(26)27-16)11-2-4-22-5-3-11/h6-11,18,22H,2-5H2,1H3
InChIKeyZVUNTLFVGUOYSB-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.35
Rot. Bonds3

About 2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole

2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 178050953) has the molecular formula C19H19F2N5S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
PubChem CID178050953
Molecular FormulaC19H19F2N5S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCn1cc2cc(-c3cn4cc(C5CCNCC5)nc4s3)cc(C(F)F)c2n1
InChIInChI=1S/C19H19F2N5S/c1-25-8-13-6-12(7-14(18(20)21)17(13)24-25)16-10-26-9-15(23-19(26)27-16)11-2-4-22-5-3-11/h6-11,18,22H,2-5H2,1H3
InChIKeyZVUNTLFVGUOYSB-UHFFFAOYSA-N
XLogP4.35
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050596
2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile
CID 178050698
6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050682
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050785
6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050946
2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050706
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050866
2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178051054
5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile
CID 170593538
tert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178050551
tert-butyl 4-[2-(7-ethyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178051074
tert-butyl 4-[2-[2-methyl-7-(methylamino)indazol-5-yl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178051083

Frequently Asked Questions

What is the IUPAC name of 2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole (CID 178050953) is 2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole is Cn1cc2cc(-c3cn4cc(C5CCNCC5)nc4s3)cc(C(F)F)c2n1.
What is the InChIKey of 2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is ZVUNTLFVGUOYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5S/c1-25-8-13-6-12(7-14(18(20)21)17(13)24-25)16-10-26-9-15(23-19(26)27-16)11-2-4-22-5-3-11/h6-11,18,22H,2-5H2,1H3.
What are the key properties of 2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 387.46 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 178050953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).