[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

C21H14Cl4N4O2S2 — CID 23987439

IUPAC[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
SMILESO=C(c1nsc(Cl)c1Cl)N1CCC(c2nc(-c3cc(-c4ccc(Cl)c(Cl)c4)no3)cs2)CC1
InChIInChI=1S/C21H14Cl4N4O2S2/c22-12-2-1-11(7-13(12)23)14-8-16(31-27-14)15-9-32-20(26-15)10-3-5-29(6-4-10)21(30)18-17(24)19(25)33-28-18/h1-2,7-10H,3-6H2
InChIKeyKEKACDJIQJDNAV-UHFFFAOYSA-N
MW560.32 g/mol
LogP7.55
Rot. Bonds4

About [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

[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 (PubChem CID 23987439) has the molecular formula C21H14Cl4N4O2S2 and a molecular weight of 560.32 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID23987439
Molecular FormulaC21H14Cl4N4O2S2
Molecular Weight560.32 g/mol
Exact Mass557.93
IUPAC Name[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
SMILESO=C(c1nsc(Cl)c1Cl)N1CCC(c2nc(-c3cc(-c4ccc(Cl)c(Cl)c4)no3)cs2)CC1
InChIInChI=1S/C21H14Cl4N4O2S2/c22-12-2-1-11(7-13(12)23)14-8-16(31-27-14)15-9-32-20(26-15)10-3-5-29(6-4-10)21(30)18-17(24)19(25)33-28-18/h1-2,7-10H,3-6H2
InChIKeyKEKACDJIQJDNAV-UHFFFAOYSA-N
XLogP7.55
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.32
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(4,5-dichloro-1,2-thiazol-3-yl)methanone
CID 3872371
[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
[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
(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
N-cyclopentyl-4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidine-1-carbothioamide
CID 3861090
N-(5-chloro-2,4-dimethoxyphenyl)-4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 3783475
3-[3-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 3669581
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 3839677
[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
3-(3,4-dichlorophenyl)-5-[2-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole
CID 3766322
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone
CID 3688431
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-(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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is O=C(c1nsc(Cl)c1Cl)N1CCC(c2nc(-c3cc(-c4ccc(Cl)c(Cl)c4)no3)cs2)CC1.
What is the InChIKey of [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?
The InChIKey is KEKACDJIQJDNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl4N4O2S2/c22-12-2-1-11(7-13(12)23)14-8-16(31-27-14)15-9-32-20(26-15)10-3-5-29(6-4-10)21(30)18-17(24)19(25)33-28-18/h1-2,7-10H,3-6H2.
What are the key properties of [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?
[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 has a molecular weight of 560.32 g/mol, XLogP of 7.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 23987439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).