2-(2,3-dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

C17H10Cl2N4OS — CID 127050736

IUPAC2-(2,3-dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1nc(-c2cccnc2)sc1-c1nnc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C17H10Cl2N4OS/c1-9-14(25-17(21-9)10-4-3-7-20-8-10)16-23-22-15(24-16)11-5-2-6-12(18)13(11)19/h2-8H,1H3
InChIKeyVKFFVOPTODGRKI-UHFFFAOYSA-N
MW389.27 g/mol
LogP5.54
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

2-(2,3-dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 127050736) has the molecular formula C17H10Cl2N4OS and a molecular weight of 389.27 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID127050736
Molecular FormulaC17H10Cl2N4OS
Molecular Weight389.27 g/mol
Exact Mass388.00
IUPAC Name2-(2,3-dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1nc(-c2cccnc2)sc1-c1nnc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C17H10Cl2N4OS/c1-9-14(25-17(21-9)10-4-3-7-20-8-10)16-23-22-15(24-16)11-5-2-6-12(18)13(11)19/h2-8H,1H3
InChIKeyVKFFVOPTODGRKI-UHFFFAOYSA-N
XLogP5.54
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.27
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-(2,3-dichlorophenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
CID 90643517
2-(4-Phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 90643530
4-[[5-(6-Chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[(2-chloro-1,3-thiazol-5-yl)methyl]phthalazin-1-one
CID 49845684
2-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole
CID 127049247
2-(4-Chlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127049555
2-(3-Methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127049918
2-(4-Bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050734
2-(2-Chlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050735
2-(2-Methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050738
2-(4-Methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050739
2-Benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127051017
2-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole
CID 127051019

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,3-dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 127050736) is 2-(2,3-dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,3-dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is Cc1nc(-c2cccnc2)sc1-c1nnc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is VKFFVOPTODGRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4OS/c1-9-14(25-17(21-9)10-4-3-7-20-8-10)16-23-22-15(24-16)11-5-2-6-12(18)13(11)19/h2-8H,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-(2,3-dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 389.27 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 127050736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).