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

C16H20N2O2S — CID 62539832

IUPAC4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole
SMILESCOc1ccc(OC)c(-c2csc(C3CCCNC3)n2)c1
InChIInChI=1S/C16H20N2O2S/c1-19-12-5-6-15(20-2)13(8-12)14-10-21-16(18-14)11-4-3-7-17-9-11/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3
InChIKeyJTWOEPIUJXKJIR-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.29
Rot. Bonds4

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

4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole (PubChem CID 62539832) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole
PubChem CID62539832
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole
SMILESCOc1ccc(OC)c(-c2csc(C3CCCNC3)n2)c1
InChIInChI=1S/C16H20N2O2S/c1-19-12-5-6-15(20-2)13(8-12)14-10-21-16(18-14)11-4-3-7-17-9-11/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3
InChIKeyJTWOEPIUJXKJIR-UHFFFAOYSA-N
XLogP3.29
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole
CID 177184061
2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 62795975
3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 95733041
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 119679962
4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541775
5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026122
4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62540732
2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine
CID 62075863
3-(4-methoxyphenyl)piperidine
CID 12937920
4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541961
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole (CID 62539832) is 4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole is COc1ccc(OC)c(-c2csc(C3CCCNC3)n2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole?
The InChIKey is JTWOEPIUJXKJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-19-12-5-6-15(20-2)13(8-12)14-10-21-16(18-14)11-4-3-7-17-9-11/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole?
4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole has a molecular weight of 304.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole is sourced from PubChem (CID 62539832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).