5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole

C22H22ClN5S — CID 56859725

IUPAC5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1CN1CCCC(c2ncncc2-c2ccccc2Cl)C1
InChIInChI=1S/C22H22ClN5S/c1-15-20(28-9-10-29-22(28)26-15)13-27-8-4-5-16(12-27)21-18(11-24-14-25-21)17-6-2-3-7-19(17)23/h2-3,6-7,9-11,14,16H,4-5,8,12-13H2,1H3
InChIKeyWTBLYURFLRMEDS-UHFFFAOYSA-N
MW423.97 g/mol
LogP5.19
Rot. Bonds4

About 5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole

5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 56859725) has the molecular formula C22H22ClN5S and a molecular weight of 423.97 g/mol. Its IUPAC name is 5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
PubChem CID56859725
Molecular FormulaC22H22ClN5S
Molecular Weight423.97 g/mol
Exact Mass423.13
IUPAC Name5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1CN1CCCC(c2ncncc2-c2ccccc2Cl)C1
InChIInChI=1S/C22H22ClN5S/c1-15-20(28-9-10-29-22(28)26-15)13-27-8-4-5-16(12-27)21-18(11-24-14-25-21)17-6-2-3-7-19(17)23/h2-3,6-7,9-11,14,16H,4-5,8,12-13H2,1H3
InChIKeyWTBLYURFLRMEDS-UHFFFAOYSA-N
XLogP5.19
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.97
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 42379025
4-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765812
5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 110104090
(3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine
CID 42196859
1-[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 45242201
[5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 45178972
[(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 42422121
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
5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 45239684
6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 97159618
6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 124985381

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole (CID 56859725) is 5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole is Cc1nc2sccn2c1CN1CCCC(c2ncncc2-c2ccccc2Cl)C1.
What is the InChIKey of 5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is WTBLYURFLRMEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5S/c1-15-20(28-9-10-29-22(28)26-15)13-27-8-4-5-16(12-27)21-18(11-24-14-25-21)17-6-2-3-7-19(17)23/h2-3,6-7,9-11,14,16H,4-5,8,12-13H2,1H3.
What are the key properties of 5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole?
5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 423.97 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 56859725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).