2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide

C20H26N6O2S — CID 25286412

IUPAC2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCc1nc2sccn2c1C(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C20H26N6O2S/c1-13-16(25-11-12-29-19(25)22-13)17(27)24-9-6-14(7-10-24)26-15(5-8-21-26)23-18(28)20(2,3)4/h5,8,11-12,14H,6-7,9-10H2,1-4H3,(H,23,28)
InChIKeyWBPTYLRHKHWOPU-UHFFFAOYSA-N
MW414.54 g/mol
LogP3.36
Rot. Bonds3

About 2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide

2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide (PubChem CID 25286412) has the molecular formula C20H26N6O2S and a molecular weight of 414.54 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide
PubChem CID25286412
Molecular FormulaC20H26N6O2S
Molecular Weight414.54 g/mol
Exact Mass414.18
IUPAC Name2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCc1nc2sccn2c1C(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C20H26N6O2S/c1-13-16(25-11-12-29-19(25)22-13)17(27)24-9-6-14(7-10-24)26-15(5-8-21-26)23-18(28)20(2,3)4/h5,8,11-12,14H,6-7,9-10H2,1-4H3,(H,23,28)
InChIKeyWBPTYLRHKHWOPU-UHFFFAOYSA-N
XLogP3.36
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
CID 42593765
2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 56755417
2,2-dimethyl-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42522227
2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42557179
N-[2-[1-(2-amino-2-oxoethyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
CID 56745480
2,2-dimethyl-N-[2-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 56740401
2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 26316039
2,2-dimethyl-N-[2-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42380475
2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 56739428
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
CID 42197512
(6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164700515
4-phenyl-N-[2-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42514153

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide (CID 25286412) is 2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide is Cc1nc2sccn2c1C(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The InChIKey is WBPTYLRHKHWOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2S/c1-13-16(25-11-12-29-19(25)22-13)17(27)24-9-6-14(7-10-24)26-15(5-8-21-26)23-18(28)20(2,3)4/h5,8,11-12,14H,6-7,9-10H2,1-4H3,(H,23,28).
What are the key properties of 2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide has a molecular weight of 414.54 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 25286412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).