[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride

C16H20Cl3N3OS — CID 119561577

IUPAC[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1.Cl.Cl
InChIInChI=1S/C16H18ClN3OS.2ClH/c1-18-13-5-7-20(8-6-13)16(21)14-10-22-15(19-14)11-3-2-4-12(17)9-11;;/h2-4,9-10,13,18H,5-8H2,1H3;2*1H
InChIKeyMROFMUUHARTWBA-UHFFFAOYSA-N
MW408.78 g/mol
LogP4.13
Rot. Bonds3

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

[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119561577) has the molecular formula C16H20Cl3N3OS and a molecular weight of 408.78 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119561577
Molecular FormulaC16H20Cl3N3OS
Molecular Weight408.78 g/mol
Exact Mass407.04
IUPAC Name[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1.Cl.Cl
InChIInChI=1S/C16H18ClN3OS.2ClH/c1-18-13-5-7-20(8-6-13)16(21)14-10-22-15(19-14)11-3-2-4-12(17)9-11;;/h2-4,9-10,13,18H,5-8H2,1H3;2*1H
InChIKeyMROFMUUHARTWBA-UHFFFAOYSA-N
XLogP4.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.78
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119623241
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119490176
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-(1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119416065
[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119561840
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone
CID 78845987
1-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117917
[4-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55573968
N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 34424164
[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 86939209
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 119546686
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119457021
2-[4-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55428969

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride (CID 119561577) is [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride is CNC1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1.Cl.Cl.
What is the InChIKey of [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is MROFMUUHARTWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS.2ClH/c1-18-13-5-7-20(8-6-13)16(21)14-10-22-15(19-14)11-3-2-4-12(17)9-11;;/h2-4,9-10,13,18H,5-8H2,1H3;2*1H.
What are the key properties of [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 408.78 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119561577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).