2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole

C18H19N5S — CID 178051054

IUPAC2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCc1nccn2cc(-c3cn4cc(C5CCNCC5)nc4s3)cc12
InChIInChI=1S/C18H19N5S/c1-12-16-8-14(9-22(16)7-6-20-12)17-11-23-10-15(21-18(23)24-17)13-2-4-19-5-3-13/h6-11,13,19H,2-5H2,1H3
InChIKeyKMWSASPQWYPUDN-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.49
Rot. Bonds2

About 2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole

2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 178051054) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
PubChem CID178051054
Molecular FormulaC18H19N5S
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC Name2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCc1nccn2cc(-c3cn4cc(C5CCNCC5)nc4s3)cc12
InChIInChI=1S/C18H19N5S/c1-12-16-8-14(9-22(16)7-6-20-12)17-11-23-10-15(21-18(23)24-17)13-2-4-19-5-3-13/h6-11,13,19H,2-5H2,1H3
InChIKeyKMWSASPQWYPUDN-UHFFFAOYSA-N
XLogP3.49
TPSA46.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050785
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050866
2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole
CID 178050897
2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050953
6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050596
tert-butyl 4-[2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178050642
2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile
CID 178050698
4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile
CID 178050818
1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine
CID 96611470
6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050682
8-ethyl-6-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylimidazo[1,2-b]pyridazine
CID 170593680
2-cyclopropylimidazo[1,2-a]pyrazin-8-amine
CID 130119994

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole (CID 178051054) is 2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole is Cc1nccn2cc(-c3cn4cc(C5CCNCC5)nc4s3)cc12.
What is the InChIKey of 2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is KMWSASPQWYPUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S/c1-12-16-8-14(9-22(16)7-6-20-12)17-11-23-10-15(21-18(23)24-17)13-2-4-19-5-3-13/h6-11,13,19H,2-5H2,1H3.
What are the key properties of 2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 337.45 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 178051054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).