4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole

C20H21N3OS — CID 103597457

IUPAC4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
SMILESCOc1ccccc1-c1csc(-c2ccnc(N3CCCCC3)c2)n1
InChIInChI=1S/C20H21N3OS/c1-24-18-8-4-3-7-16(18)17-14-25-20(22-17)15-9-10-21-19(13-15)23-11-5-2-6-12-23/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3
InChIKeyLLCQNMPZEIZQGF-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.87
Rot. Bonds4

About 4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole

4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole (PubChem CID 103597457) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
PubChem CID103597457
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
SMILESCOc1ccccc1-c1csc(-c2ccnc(N3CCCCC3)c2)n1
InChIInChI=1S/C20H21N3OS/c1-24-18-8-4-3-7-16(18)17-14-25-20(22-17)15-9-10-21-19(13-15)23-11-5-2-6-12-23/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3
InChIKeyLLCQNMPZEIZQGF-UHFFFAOYSA-N
XLogP4.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
CID 103597524
4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 103597458
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291
4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
CID 103597491
4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 134273339
4-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667839
2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 79831089
N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036751
4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 23408094
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 18707182
formaldehyde;4-[4-(2-methoxyphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylpyridine
CID 142106417

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole (CID 103597457) is 4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole is COc1ccccc1-c1csc(-c2ccnc(N3CCCCC3)c2)n1.
What is the InChIKey of 4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole?
The InChIKey is LLCQNMPZEIZQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-24-18-8-4-3-7-16(18)17-14-25-20(22-17)15-9-10-21-19(13-15)23-11-5-2-6-12-23/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole?
4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole has a molecular weight of 351.48 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 103597457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).