[5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone

C19H26N6OS — CID 28731607

IUPAC[5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
SMILESCN(CCc1cnn(C)c1)Cc1c(C(=O)N2CCCCC2)nc2sccn12
InChIInChI=1S/C19H26N6OS/c1-22(9-6-15-12-20-23(2)13-15)14-16-17(21-19-25(16)10-11-27-19)18(26)24-7-4-3-5-8-24/h10-13H,3-9,14H2,1-2H3
InChIKeyZFHZRMVSXSGEKN-UHFFFAOYSA-N
MW386.53 g/mol
LogP2.43
Rot. Bonds6

About [5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone

[5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone (PubChem CID 28731607) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is [5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
PubChem CID28731607
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC Name[5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
SMILESCN(CCc1cnn(C)c1)Cc1c(C(=O)N2CCCCC2)nc2sccn12
InChIInChI=1S/C19H26N6OS/c1-22(9-6-15-12-20-23(2)13-15)14-16-17(21-19-25(16)10-11-27-19)18(26)24-7-4-3-5-8-24/h10-13H,3-9,14H2,1-2H3
InChIKeyZFHZRMVSXSGEKN-UHFFFAOYSA-N
XLogP2.43
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50984047
2-Imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 53551207
2-Imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 53559119
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 53588532
2-Imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56780175
2-Imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 56780198
6-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-pyrrolidinyl]carbonyl}imidazo[2,1-b][1,3]thiazole
CID 70727112
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-isopropyl-1H-pyrazole-4-carboxamide
CID 70728734
1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 72925220
[4-(5-Methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 92564311
[4-(5-Methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 92564312
(1,5-Dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 92595135

Frequently Asked Questions

What is the IUPAC name of [5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone (CID 28731607) is [5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone is CN(CCc1cnn(C)c1)Cc1c(C(=O)N2CCCCC2)nc2sccn12.
What is the InChIKey of [5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The InChIKey is ZFHZRMVSXSGEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6OS/c1-22(9-6-15-12-20-23(2)13-15)14-16-17(21-19-25(16)10-11-27-19)18(26)24-7-4-3-5-8-24/h10-13H,3-9,14H2,1-2H3.
What are the key properties of [5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
[5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone has a molecular weight of 386.53 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 28731607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).