[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone

C17H22N4O2S — CID 119488881

IUPAC[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2csc(Nc3ccc(OC)cc3)n2)C1
InChIInChI=1S/C17H22N4O2S/c1-18-13-4-3-9-21(10-13)16(22)15-11-24-17(20-15)19-12-5-7-14(23-2)8-6-12/h5-8,11,13,18H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyUZMOHLQHQVEHAN-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.72
Rot. Bonds5

About [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone

[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119488881) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119488881
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2csc(Nc3ccc(OC)cc3)n2)C1
InChIInChI=1S/C17H22N4O2S/c1-18-13-4-3-9-21(10-13)16(22)15-11-24-17(20-15)19-12-5-7-14(23-2)8-6-12/h5-8,11,13,18H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyUZMOHLQHQVEHAN-UHFFFAOYSA-N
XLogP2.72
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 42813188
ethyl (3R)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate
CID 41201409
(3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 93305453
1-(4-acetylpiperazin-1-yl)-2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876899
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575758
(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124572642
(3,5-dimethylpiperidin-1-yl)-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone
CID 16955179
[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methanone
CID 136546604
(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methanone
CID 166192968
(4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491500
2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 46079079
1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 42813255

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone (CID 119488881) is [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2csc(Nc3ccc(OC)cc3)n2)C1.
What is the InChIKey of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is UZMOHLQHQVEHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-18-13-4-3-9-21(10-13)16(22)15-11-24-17(20-15)19-12-5-7-14(23-2)8-6-12/h5-8,11,13,18H,3-4,9-10H2,1-2H3,(H,19,20).
What are the key properties of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone?
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 346.46 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119488881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).