2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole

C16H20N2OS — CID 18187785

IUPAC2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
SMILESCOc1cccc(Cc2ncc(C3CCNCC3)s2)c1
InChIInChI=1S/C16H20N2OS/c1-19-14-4-2-3-12(9-14)10-16-18-11-15(20-16)13-5-7-17-8-6-13/h2-4,9,11,13,17H,5-8,10H2,1H3
InChIKeyYEEDVNZYDOGTAP-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.21
Rot. Bonds4

About 2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole

2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole (PubChem CID 18187785) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
PubChem CID18187785
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
SMILESCOc1cccc(Cc2ncc(C3CCNCC3)s2)c1
InChIInChI=1S/C16H20N2OS/c1-19-14-4-2-3-12(9-14)10-16-18-11-15(20-16)13-5-7-17-8-6-13/h2-4,9,11,13,17H,5-8,10H2,1H3
InChIKeyYEEDVNZYDOGTAP-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-piperidin-4-yl-1,3-thiazol-2-yl)methyl]benzonitrile
CID 18187788
N-[[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 61281749
4-ethyl-2-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole;2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole;2-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
CID 158774322
2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole
CID 18187787
2-[(3-methoxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079690
4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
CID 18187692
1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride
CID 118741696
2-[(3-methoxyphenyl)methyl]-5-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-1,3,4-oxadiazole
CID 73386635
5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272863
3-[(3-methoxyphenyl)methoxy]pyrrolidine
CID 20735282
2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine
CID 115069993
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole (CID 18187785) is 2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole is COc1cccc(Cc2ncc(C3CCNCC3)s2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
The InChIKey is YEEDVNZYDOGTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-19-14-4-2-3-12(9-14)10-16-18-11-15(20-16)13-5-7-17-8-6-13/h2-4,9,11,13,17H,5-8,10H2,1H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole has a molecular weight of 288.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 18187785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).