6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

C16H21N5S — CID 124955189

IUPAC6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1cn[nH]c1[C@@H]1CCCCN1Cc1c(C)nc2sccn12
InChIInChI=1S/C16H21N5S/c1-11-9-17-19-15(11)13-5-3-4-6-20(13)10-14-12(2)18-16-21(14)7-8-22-16/h7-9,13H,3-6,10H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyFHZXOXLQTKUXAP-ZDUSSCGKSA-N
MW315.45 g/mol
LogP3.46
Rot. Bonds3

About 6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 124955189) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID124955189
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1cn[nH]c1[C@@H]1CCCCN1Cc1c(C)nc2sccn12
InChIInChI=1S/C16H21N5S/c1-11-9-17-19-15(11)13-5-3-4-6-20(13)10-14-12(2)18-16-21(14)7-8-22-16/h7-9,13H,3-6,10H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyFHZXOXLQTKUXAP-ZDUSSCGKSA-N
XLogP3.46
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-5-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 124993750
6-methyl-5-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 124993751
6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 124985381
6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 97159618
5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125011600
1-[(3aR,8aR)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-1-yl]ethanone
CID 110136278
3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 110106195
azocan-1-yl-[5-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45182905
6-methyl-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 38996171
2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine
CID 73439874
5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 110256906
(2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 124999687

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 124955189) is 6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is Cc1cn[nH]c1[C@@H]1CCCCN1Cc1c(C)nc2sccn12.
What is the InChIKey of 6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is FHZXOXLQTKUXAP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5S/c1-11-9-17-19-15(11)13-5-3-4-6-20(13)10-14-12(2)18-16-21(14)7-8-22-16/h7-9,13H,3-6,10H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 315.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 124955189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).