2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole

C20H27N3S — CID 91001774

IUPAC2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
SMILESCc1cccc(-c2ncc(N3CCC(N4CCCCC4)CC3)s2)c1
InChIInChI=1S/C20H27N3S/c1-16-6-5-7-17(14-16)20-21-15-19(24-20)23-12-8-18(9-13-23)22-10-3-2-4-11-22/h5-7,14-15,18H,2-4,8-13H2,1H3
InChIKeyMEMBWXDGWZLKRV-UHFFFAOYSA-N
MW341.52 g/mol
LogP4.57
Rot. Bonds3

About 2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole

2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole (PubChem CID 91001774) has the molecular formula C20H27N3S and a molecular weight of 341.52 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
PubChem CID91001774
Molecular FormulaC20H27N3S
Molecular Weight341.52 g/mol
Exact Mass341.19
IUPAC Name2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
SMILESCc1cccc(-c2ncc(N3CCC(N4CCCCC4)CC3)s2)c1
InChIInChI=1S/C20H27N3S/c1-16-6-5-7-17(14-16)20-21-15-19(24-20)23-12-8-18(9-13-23)22-10-3-2-4-11-22/h5-7,14-15,18H,2-4,8-13H2,1H3
InChIKeyMEMBWXDGWZLKRV-UHFFFAOYSA-N
XLogP4.57
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53319171
6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
CID 58579706
3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol
CID 58430756
6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 171702282
1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine
CID 71106426
1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone
CID 45482773
2-[3-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]phenyl]-5-methyl-1,3,4-thiadiazole
CID 56855156
6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
CID 58579712
1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]ethanone
CID 45482714
2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 63075904
6-(6-methyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 57400951
2-(3,4-dimethoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 58430464

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole (CID 91001774) is 2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole is Cc1cccc(-c2ncc(N3CCC(N4CCCCC4)CC3)s2)c1.
What is the InChIKey of 2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is MEMBWXDGWZLKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3S/c1-16-6-5-7-17(14-16)20-21-15-19(24-20)23-12-8-18(9-13-23)22-10-3-2-4-11-22/h5-7,14-15,18H,2-4,8-13H2,1H3.
What are the key properties of 2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole?
2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 341.52 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 91001774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).