(4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone

C21H22N4O2S — CID 53172774

IUPAC(4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(-c4nc(C)cs4)cn3)CC2)cc1
InChIInChI=1S/C21H22N4O2S/c1-15-14-28-20(23-15)17-5-8-19(22-13-17)24-9-11-25(12-10-24)21(26)16-3-6-18(27-2)7-4-16/h3-8,13-14H,9-12H2,1-2H3
InChIKeyYKOOHGJSBQTIOG-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.48
Rot. Bonds4

About (4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone

(4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 53172774) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID53172774
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name(4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(-c4nc(C)cs4)cn3)CC2)cc1
InChIInChI=1S/C21H22N4O2S/c1-15-14-28-20(23-15)17-5-8-19(22-13-17)24-9-11-25(12-10-24)21(26)16-3-6-18(27-2)7-4-16/h3-8,13-14H,9-12H2,1-2H3
InChIKeyYKOOHGJSBQTIOG-UHFFFAOYSA-N
XLogP3.48
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone
CID 53172793
2-(3-fluorophenyl)-1-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 53172785
[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 86905482
N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145632
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971599
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971609
(4-tert-butylphenyl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50840699
(2,6-difluorophenyl)-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 53172823
4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 123937349
[6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 136551075
(4-methoxyphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053460

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone (CID 53172774) is (4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3ccc(-c4nc(C)cs4)cn3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is YKOOHGJSBQTIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-15-14-28-20(23-15)17-5-8-19(22-13-17)24-9-11-25(12-10-24)21(26)16-3-6-18(27-2)7-4-16/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 394.50 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 53172774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).