[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone

C22H17Cl2N5OS2 — CID 3800753

IUPAC[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cnccn2)n1)N1CCC(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1
InChIInChI=1S/C22H17Cl2N5OS2/c23-15-2-1-14(9-16(15)24)18-11-31-20(27-18)13-3-7-29(8-4-13)22(30)19-12-32-21(28-19)17-10-25-5-6-26-17/h1-2,5-6,9-13H,3-4,7-8H2
InChIKeyOYLXMKUWQZOVMC-UHFFFAOYSA-N
MW502.45 g/mol
LogP6.05
Rot. Bonds4

About [4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone

[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 3800753) has the molecular formula C22H17Cl2N5OS2 and a molecular weight of 502.45 g/mol. Its IUPAC name is [4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID3800753
Molecular FormulaC22H17Cl2N5OS2
Molecular Weight502.45 g/mol
Exact Mass501.03
IUPAC Name[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cnccn2)n1)N1CCC(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1
InChIInChI=1S/C22H17Cl2N5OS2/c23-15-2-1-14(9-16(15)24)18-11-31-20(27-18)13-3-7-29(8-4-13)22(30)19-12-32-21(28-19)17-10-25-5-6-26-17/h1-2,5-6,9-13H,3-4,7-8H2
InChIKeyOYLXMKUWQZOVMC-UHFFFAOYSA-N
XLogP6.05
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.45
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 3746568
[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 3854483
ethyl 5-[2-[1-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 4990091
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(4,5-dichloro-1,2-thiazol-3-yl)methanone
CID 3872371
(2,3-dichloro-4-hydroxy-5-methoxyphenyl)-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 23736318
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 3839677
[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 5182515
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone
CID 3688431
[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 3703071
[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4,5-dichloro-1,2-thiazol-3-yl)methanone
CID 23987439
[3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 119489708
1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 3718508

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone (CID 3800753) is [4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2cnccn2)n1)N1CCC(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1.
What is the InChIKey of [4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is OYLXMKUWQZOVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5OS2/c23-15-2-1-14(9-16(15)24)18-11-31-20(27-18)13-3-7-29(8-4-13)22(30)19-12-32-21(28-19)17-10-25-5-6-26-17/h1-2,5-6,9-13H,3-4,7-8H2.
What are the key properties of [4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 502.45 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 3800753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).