(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone

C21H25N5OS2 — CID 53187374

IUPAC(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
SMILESCN1CCN(C(=O)C2CCN(c3nc4ccc(-c5cccs5)nc4s3)CC2)CC1
InChIInChI=1S/C21H25N5OS2/c1-24-10-12-25(13-11-24)20(27)15-6-8-26(9-7-15)21-23-17-5-4-16(22-19(17)29-21)18-3-2-14-28-18/h2-5,14-15H,6-13H2,1H3
InChIKeyFKAAVOXUKIEDKW-UHFFFAOYSA-N
MW427.60 g/mol
LogP3.41
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone

(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone (PubChem CID 53187374) has the molecular formula C21H25N5OS2 and a molecular weight of 427.60 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
PubChem CID53187374
Molecular FormulaC21H25N5OS2
Molecular Weight427.60 g/mol
Exact Mass427.15
IUPAC Name(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
SMILESCN1CCN(C(=O)C2CCN(c3nc4ccc(-c5cccs5)nc4s3)CC2)CC1
InChIInChI=1S/C21H25N5OS2/c1-24-10-12-25(13-11-24)20(27)15-6-8-26(9-7-15)21-23-17-5-4-16(22-19(17)29-21)18-3-2-14-28-18/h2-5,14-15H,6-13H2,1H3
InChIKeyFKAAVOXUKIEDKW-UHFFFAOYSA-N
XLogP3.41
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.60
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 53187334
[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20883789
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 53084442
[4-(3-chlorophenyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 20951988
(4-benzhydrylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 90611224
N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187352
(4-pentan-2-ylpiperazin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 20947299
1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide
CID 53187197
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20906766
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 86884571
1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 90611568

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone (CID 53187374) is (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone is CN1CCN(C(=O)C2CCN(c3nc4ccc(-c5cccs5)nc4s3)CC2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone?
The InChIKey is FKAAVOXUKIEDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS2/c1-24-10-12-25(13-11-24)20(27)15-6-8-26(9-7-15)21-23-17-5-4-16(22-19(17)29-21)18-3-2-14-28-18/h2-5,14-15H,6-13H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone?
(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone has a molecular weight of 427.60 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 53187374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).