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

C16H23N5O2S — CID 72847014

IUPAC[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CCC(c3nccn3CCOC)CC2)cs1
InChIInChI=1S/C16H23N5O2S/c1-17-16-19-13(11-24-16)15(22)21-6-3-12(4-7-21)14-18-5-8-20(14)9-10-23-2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,17,19)
InChIKeyCIEOBYOEXCCAKK-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.05
Rot. Bonds6

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

[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 72847014) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
PubChem CID72847014
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CCC(c3nccn3CCOC)CC2)cs1
InChIInChI=1S/C16H23N5O2S/c1-17-16-19-13(11-24-16)15(22)21-6-3-12(4-7-21)14-18-5-8-20(14)9-10-23-2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,17,19)
InChIKeyCIEOBYOEXCCAKK-UHFFFAOYSA-N
XLogP2.05
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
CID 97279430
1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 72919738
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 72851515
5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72856586
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 72845310
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 72909280
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72882144
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 72932343
[2-(methylamino)-1,3-thiazol-4-yl]-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70745608
(5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97119877
1-(2-methoxyethyl)-4-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 72846613
[3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 72873894

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (CID 72847014) is [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is CNc1nc(C(=O)N2CCC(c3nccn3CCOC)CC2)cs1.
What is the InChIKey of [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is CIEOBYOEXCCAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-17-16-19-13(11-24-16)15(22)21-6-3-12(4-7-21)14-18-5-8-20(14)9-10-23-2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,17,19).
What are the key properties of [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 349.46 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 72847014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).