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

C16H18ClN3O2S — CID 70765937

IUPAC[4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)cs1
InChIInChI=1S/C16H18ClN3O2S/c1-18-16-19-13(10-23-16)15(21)20-8-6-11(7-9-20)22-14-5-3-2-4-12(14)17/h2-5,10-11H,6-9H2,1H3,(H,18,19)
InChIKeyVYUOXDGVNZQFIM-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.52
Rot. Bonds4

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

[4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 70765937) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is [4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
PubChem CID70765937
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name[4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)cs1
InChIInChI=1S/C16H18ClN3O2S/c1-18-16-19-13(10-23-16)15(21)20-8-6-11(7-9-20)22-14-5-3-2-4-12(14)17/h2-5,10-11H,6-9H2,1H3,(H,18,19)
InChIKeyVYUOXDGVNZQFIM-UHFFFAOYSA-N
XLogP3.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 75388459
[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82509879
(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone
CID 91800796
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
[2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 77097002
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 166338837
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126951449
[2-(methylamino)-1,3-thiazol-4-yl]-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70745608
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone
CID 119662666
methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 16948133
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645704
[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879916

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (CID 70765937) is [4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is CNc1nc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)cs1.
What is the InChIKey of [4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is VYUOXDGVNZQFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-18-16-19-13(10-23-16)15(21)20-8-6-11(7-9-20)22-14-5-3-2-4-12(14)17/h2-5,10-11H,6-9H2,1H3,(H,18,19).
What are the key properties of [4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
[4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 351.86 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 70765937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).