[4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone

C20H19Cl3N4OS — CID 141146193

IUPAC[4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCN(CC2=CC=CCN2c2ncc(Cl)s2)CC1
InChIInChI=1S/C20H19Cl3N4OS/c21-16-6-3-5-15(18(16)23)19(28)26-10-8-25(9-11-26)13-14-4-1-2-7-27(14)20-24-12-17(22)29-20/h1-6,12H,7-11,13H2
InChIKeyNWMSCJONTRQPHH-UHFFFAOYSA-N
MW469.83 g/mol
LogP4.82
Rot. Bonds4

About [4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone

[4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone (PubChem CID 141146193) has the molecular formula C20H19Cl3N4OS and a molecular weight of 469.83 g/mol. Its IUPAC name is [4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
PubChem CID141146193
Molecular FormulaC20H19Cl3N4OS
Molecular Weight469.83 g/mol
Exact Mass468.03
IUPAC Name[4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCN(CC2=CC=CCN2c2ncc(Cl)s2)CC1
InChIInChI=1S/C20H19Cl3N4OS/c21-16-6-3-5-15(18(16)23)19(28)26-10-8-25(9-11-26)13-14-4-1-2-7-27(14)20-24-12-17(22)29-20/h1-6,12H,7-11,13H2
InChIKeyNWMSCJONTRQPHH-UHFFFAOYSA-N
XLogP4.82
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.83
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazine-1-carbonyl]benzonitrile
CID 141146207
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
(2,3-dichlorophenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19574158
(2,3-dichlorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325337
(2,3-dichlorophenyl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19291232
(2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19327543
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210
(2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone
CID 95775773
2-[4-(2,3-dichlorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825146
(2,3-dichlorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 11561424
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 55748983
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone?
The IUPAC name of [4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone (CID 141146193) is [4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone.
What is the SMILES notation for [4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone?
The canonical SMILES for [4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone is O=C(c1cccc(Cl)c1Cl)N1CCN(CC2=CC=CCN2c2ncc(Cl)s2)CC1.
What is the InChIKey of [4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone?
The InChIKey is NWMSCJONTRQPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N4OS/c21-16-6-3-5-15(18(16)23)19(28)26-10-8-25(9-11-26)13-14-4-1-2-7-27(14)20-24-12-17(22)29-20/h1-6,12H,7-11,13H2.
What are the key properties of [4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone?
[4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone has a molecular weight of 469.83 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone is sourced from PubChem (CID 141146193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).