(3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone

C22H22Cl2N4OS — CID 10813865

IUPAC(3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3nccs3)n2)CC1
InChIInChI=1S/C22H22Cl2N4OS/c23-18-5-4-16(12-19(18)24)22(29)28-9-6-15(7-10-28)13-25-14-17-2-1-3-20(27-17)21-26-8-11-30-21/h1-5,8,11-12,15,25H,6-7,9-10,13-14H2
InChIKeyNTCYZWZXRNJMAE-UHFFFAOYSA-N
MW461.42 g/mol
LogP5.15
Rot. Bonds6

About (3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10813865) has the molecular formula C22H22Cl2N4OS and a molecular weight of 461.42 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10813865
Molecular FormulaC22H22Cl2N4OS
Molecular Weight461.42 g/mol
Exact Mass460.09
IUPAC Name(3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3nccs3)n2)CC1
InChIInChI=1S/C22H22Cl2N4OS/c23-18-5-4-16(12-19(18)24)22(29)28-9-6-15(7-10-28)13-25-14-17-2-1-3-20(27-17)21-26-8-11-30-21/h1-5,8,11-12,15,25H,6-7,9-10,13-14H2
InChIKeyNTCYZWZXRNJMAE-UHFFFAOYSA-N
XLogP5.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3,4-Dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10743303
N4-(4-chlorobenzyl)-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824334
(3,4-Dichlorophenyl)-[4-[[(6-thiophen-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10575934
[4-[[(4-Chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 10669405
(3,4-Dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone
CID 10691033
(3,4-Dichlorophenyl)-[4-fluoro-4-[[(6-thiophen-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10719425
(3-Chloro-2-fluorophenyl)(4-((6-(thiazol-2-ylamino)pyridin-2-yl)methyl)piperazin-1-yl)methanone
CID 11676373
(3,4-Dichlorophenyl)-[4-[[(6-methylsulfanyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 11796569
Wnk-IN-11
CID 133080583
WNK-IN-11-d3
CID 137660903
3-chloro-N-(2-(2-(pyridin-3-yl)thiazol-4-yl)ethyl)benzamide
CID 7119147
3,4-Dichloro-N-(4-pyridin-2-yl-thiazol-2-yl)-benzamide
CID 8924077

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (CID 10813865) is (3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3nccs3)n2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is NTCYZWZXRNJMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4OS/c23-18-5-4-16(12-19(18)24)22(29)28-9-6-15(7-10-28)13-25-14-17-2-1-3-20(27-17)21-26-8-11-30-21/h1-5,8,11-12,15,25H,6-7,9-10,13-14H2.
What are the key properties of (3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 461.42 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10813865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).